data_2kys_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kys _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.233 0.204 0 CA-C-O 122.678 1.228 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 33.26 4.48 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.291 1.436 . . . . 0.0 111.283 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 33.7 m 50.01 68.09 0.8 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.534 1.934 . . . . 0.0 111.432 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -71.65 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.542 2.337 . . . . 0.0 111.931 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -128.26 130.41 47.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.203 1.001 . . . . 0.0 109.514 -160.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.53 -23.37 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.841 -0.537 . . . . 0.0 111.995 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.52 -24.52 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 125.838 1.655 . . . . 0.0 111.925 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.9 -53.42 5.11 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 119.678 1.126 . . . . 0.0 109.254 170.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 9.8 mt -64.69 -42.93 94.96 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 129.571 3.148 . . . . 0.0 111.696 -159.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.1 t -54.26 -50.55 66.97 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.243 1.417 . . . . 0.0 108.394 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.23 -12.74 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 0.0 111.926 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.85 -49.9 5.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.666 -1.272 . . . . 0.0 109.365 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.4 -17.68 64.28 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.342 1.057 . . . . 0.0 111.935 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.3 -19.78 24.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.468 1.907 . . . . 0.0 111.165 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.53 -85.26 0.65 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.966 0.907 . . . . 0.0 110.033 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.39 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.742 1.217 . . . . 0.0 112.73 -168.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 p -54.44 150.46 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.911 0.863 . . . . 0.0 109.955 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -116.47 122.02 43.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 p -48.24 -40.93 26.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.097 1.759 . . . . 0.0 111.494 165.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -69.17 -21.4 63.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.604 1.962 . . . . 0.0 112.816 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 m -109.94 132.23 54.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -28.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.611 1.565 . . . . 0.0 114.448 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -44.66 -48.38 10.56 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.369 2.267 . . . . 0.0 112.769 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -51.52 -57.94 7.68 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.011 0.91 . . . . 0.0 109.646 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.05 77.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.88 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -33.25 43.75 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.418 1.087 . . . . 0.0 110.164 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.48 -50.46 6.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.518 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.82 -52.12 18.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 C-N-CA 123.94 0.896 . . . . 0.0 109.973 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -32.98 64.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.081 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.93 -28.98 67.14 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.273 -0.892 . . . . 0.0 110.126 -169.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -47.55 -58.84 3.76 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 124.528 1.131 . . . . 0.0 110.228 167.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.43 -43.05 93.15 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -65.86 -8.42 21.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.088 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.8 mm -73.15 -61.22 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.607 1.163 . . . . 0.0 107.887 166.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.74 -24.77 67.03 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.834 -1.166 . . . . 0.0 111.004 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 13.77 30.89 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.164 2.186 . . . . 0.0 110.512 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 168.45 14.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.727 -0.608 . . . . 0.0 110.795 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.64 -48.25 79.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.033 0.933 . . . . 0.0 112.087 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -147.82 -169.03 3.23 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 107.667 -164.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 124.003 0.921 . . . . 0.0 111.232 168.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -58.59 -46.81 86.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.679 0.792 . . . . 0.0 109.762 -166.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -72.87 -11.21 60.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.773 -0.58 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.55 -64.44 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 120.972 -1.08 . . . . 0.0 109.652 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -23.45 63.96 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.63 -171.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.49 -33.56 21.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 112.646 167.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -75.13 -44.72 45.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.61 1.096 . . . . 0.0 110.404 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptp -66.54 -37.03 84.12 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.043 -1.036 . . . . 0.0 111.469 -173.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.47 -7.34 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 124.154 0.982 . . . . 0.0 110.569 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -106.92 11.49 29.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 119.821 -1.8 . . . . 0.0 113.001 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pp -111.96 -40.68 4.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 120.002 1.274 . . . . 0.0 111.314 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD22 ' H ' ' A' ' 59' ' ' SER . 1.3 pt? -59.05 -32.43 69.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 119.16 -2.212 . . . . 0.0 111.335 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.43 ' H ' HD22 ' A' ' 58' ' ' LEU . 7.0 t -78.63 -35.0 46.09 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 126.511 1.924 . . . . 0.0 108.48 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.0 p -70.88 -44.28 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 118.574 0.624 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.47 -56.72 8.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.75 -18.59 65.18 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.44 -0.788 . . . . 0.0 112.453 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -70.38 -46.44 64.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.07 43.8 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.463 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -142.72 -15.25 0.73 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.86 34.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 120.147 1.34 . . . . 0.0 114.486 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.02 165.44 24.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.826 0.85 . . . . 0.0 111.967 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -107.05 -56.08 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.265 1.026 . . . . 0.0 112.109 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.31 16.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.114 2.966 . . . . 0.0 114.003 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -73.82 -15.7 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 119.341 -2.1 . . . . 0.0 112.321 -167.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -87.21 -16.81 34.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.372 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -53.84 53.31 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.232 0.924 . . . . 0.0 109.854 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -43.1 78.81 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.163 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.16 -54.48 46.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.489 0.586 . . . . 0.0 110.83 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.7 -7.13 50.82 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.258 0.349 . . . . 0.0 111.86 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.28 -66.13 0.93 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.014 -1.054 . . . . 0.0 109.188 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -68.79 -25.03 64.49 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.471 -0.768 . . . . 0.0 112.982 -169.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -69.4 -41.62 76.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.004 1.274 . . . . 0.0 110.588 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -71.73 -28.38 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.863 0.865 . . . . 0.0 110.831 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.04 -11.31 58.88 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.384 -0.823 . . . . 0.0 109.59 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -49.32 9.46 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 126.183 1.793 . . . . 0.0 108.642 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.45 75.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.867 0.867 . . . . 0.0 111.48 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.913 1.285 . . . . 0.0 111.709 174.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 122.876 1.322 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -112.29 19.68 17.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.864 1.666 . . . . 0.0 112.686 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.77 145.11 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 128.127 2.571 . . . . 0.0 110.958 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.6 p -114.01 -67.0 1.03 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.751 1.22 . . . . 0.0 108.613 -169.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -148.92 134.95 19.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.439 2.696 . . . . 0.0 105.109 -166.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.06 -19.49 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.952 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.21 -21.39 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.686 1.595 . . . . 0.0 113.877 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.25 -45.88 4.01 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.309 1.044 . . . . 0.0 112.706 172.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.05 -39.55 86.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.863 0.756 . . . . 0.0 111.21 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -55.6 -45.52 77.45 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 125.545 1.538 . . . . 0.0 110.164 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.08 -22.5 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 120.747 -1.22 . . . . 0.0 112.044 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -50.23 6.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.834 -1.166 . . . . 0.0 109.124 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.02 -17.11 62.64 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.64 -1.171 . . . . 0.0 112.542 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -66.95 -11.26 56.01 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.378 1.445 . . . . 0.0 111.226 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD22 HE21 ' A' ' 65' ' ' GLN . 2.7 mm? -113.79 -85.89 0.59 Allowed 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.98 1.312 . . . . 0.0 110.116 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.01 25.41 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.233 1.413 . . . . 0.0 113.189 -166.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.08 159.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.07 0.948 . . . . 0.0 111.482 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -120.19 118.64 31.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.172 1.389 . . . . 0.0 108.631 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -68.7 -23.4 64.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.132 -0.355 . . . . 0.0 111.491 169.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 2.02 3.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.595 1.158 . . . . 0.0 113.498 172.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 m -121.51 160.99 23.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 109.862 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -23.9 61.29 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 176.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.19 -50.65 72.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.362 0.665 . . . . 0.0 110.533 -164.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -48.02 -42.34 27.88 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.827 1.251 . . . . 0.0 111.847 170.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 -31.69 48.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.575 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -45.12 -37.47 4.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.224 1.374 . . . . 0.0 111.798 168.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.01 -62.37 1.72 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.189 0.306 . . . . 0.0 110.396 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.11 -42.26 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -167.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -27.12 62.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.417 1.008 . . . . 0.0 112.157 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -89.11 -14.43 36.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.371 -0.831 . . . . 0.0 110.952 -174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -64.07 -55.42 22.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.2 0.909 . . . . 0.0 109.622 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.93 -38.28 87.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.646 -0.692 . . . . 0.0 111.205 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -14.44 50.46 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.036 0.834 . . . . 0.0 112.749 -176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.71 -57.98 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 172.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.11 -40.82 86.95 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.3 13.58 6.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.92 2.088 . . . . 0.0 110.644 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 177.2 1.54 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.019 1.327 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.16 -48.49 15.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.658 1.183 . . . . 0.0 112.021 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.5 168.33 19.87 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.411 1.084 . . . . 0.0 108.198 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.5 m -59.76 -50.12 75.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.965 0.506 . . . . 0.0 111.34 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -61.22 -43.32 99.06 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.57 -15.71 61.75 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.638 -0.664 . . . . 0.0 112.068 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.68 75.29 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 119.227 0.921 . . . . 0.0 110.215 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -96.56 -26.1 15.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.356 -169.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.88 -36.16 58.85 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.838 0.745 . . . . 0.0 110.474 170.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.82 56.5 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.735 -1.228 . . . . 0.0 113.397 176.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.15 -39.5 82.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.92 1.691 . . . . 0.0 110.409 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.16 -7.22 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.395 1.078 . . . . 0.0 110.871 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -108.2 10.72 27.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 126.045 1.738 . . . . 0.0 112.535 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.91 -48.37 2.84 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.491 1.496 . . . . 0.0 109.441 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -54.85 -35.42 63.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.885 1.674 . . . . 0.0 112.55 -160.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -77.56 -27.88 51.64 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.786 1.234 . . . . 0.0 109.597 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.71 -44.5 81.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 CA-C-N 119.075 0.852 . . . . 0.0 108.776 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.43 65.77 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.42 -37.49 86.02 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.909 -0.495 . . . . 0.0 111.69 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -63.33 -8.02 7.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 127.94 2.496 . . . . 0.0 111.979 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -12.29 5.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.701 1.2 . . . . 0.0 113.811 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.467 HE21 HD22 ' A' ' 22' ' ' LEU . 7.1 pt20 -150.57 -10.56 0.25 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.3 46.74 43.96 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.827 1.203 . . . . 0.0 112.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.0 176.13 0.76 Allowed 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.395 1.078 . . . . 0.0 111.508 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' ILE . 1.4 p -117.38 -50.85 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 C-N-CA 123.326 0.65 . . . . 0.0 110.091 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -81.97 14.75 2.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.22 -1.392 . . . . 0.0 109.642 -157.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' H ' ' C ' ' A' ' 68' ' ' VAL . 6.9 tp -64.15 -19.94 25.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 120.871 -1.143 . . . . 0.0 111.225 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -76.4 -25.19 54.27 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 123.162 0.585 . . . . 0.0 111.443 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -67.0 -52.4 43.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.528 0.604 . . . . 0.0 110.323 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.79 -37.44 66.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.38 173.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.8 m -59.39 -48.12 82.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 119.677 1.126 . . . . 0.0 110.676 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.54 -45.44 94.17 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 124.141 0.901 . . . . 0.0 109.27 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.73 -55.02 38.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.795 0.438 . . . . 0.0 110.69 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -72.07 -22.24 61.39 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.587 0.63 . . . . 0.0 112.38 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.64 -53.44 41.45 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.532 1.06 . . . . 0.0 110.38 166.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.24 -21.59 61.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.429 -0.794 . . . . 0.0 110.649 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.42 -28.0 65.76 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.891 -1.131 . . . . 0.0 111.488 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -32.41 17.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 120.337 1.426 . . . . 0.0 111.095 174.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -28.61 69.12 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.539 0.524 0 C-N-CA 124.085 0.954 . . . . 0.0 110.991 -178.07 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 122.616 1.198 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.89 17.33 9.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.622 1.169 . . . . 0.0 113.608 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t 52.2 88.59 0.03 OUTLIER 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.0 1.72 . . . . 0.0 110.362 -170.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -97.44 150.23 21.27 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 161.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m 44.07 99.08 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.417 3.087 . . . . 0.0 113.823 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.57 -17.02 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 119.867 -1.771 . . . . 0.0 114.16 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.68 -45.65 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.894 1.278 . . . . 0.0 109.451 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -40.18 17.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 118.488 0.585 . . . . 0.0 112.181 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.46 -31.32 71.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.741 0.7 . . . . 0.0 111.993 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -54.65 -42.6 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.67 1.588 . . . . 0.0 109.502 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.12 -16.7 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.605 0.762 . . . . 0.0 112.216 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -96.21 -48.27 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 120.636 -1.29 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -69.08 -14.21 62.89 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.897 0.879 . . . . 0.0 111.651 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.32 -34.37 23.43 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.781 1.232 . . . . 0.0 110.709 165.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -110.31 -85.68 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -162.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.97 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.675 0.79 . . . . 0.0 112.455 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.67 141.03 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 124.059 0.944 . . . . 0.0 109.744 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.65 125.83 47.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.448 -2.427 . . . . 0.0 104.448 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 p -58.94 -29.27 66.99 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.27 0.941 . . . . 0.0 110.928 172.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -62.3 -31.14 71.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.132 0.973 . . . . 0.0 111.041 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -69.11 138.44 54.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -23.93 2.9 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.129 0.966 . . . . 0.0 111.74 169.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -53.78 -41.54 67.33 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 126.716 2.006 . . . . 0.0 112.595 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -55.73 -55.89 26.98 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.409 0.55 . . . . 0.0 109.844 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.52 90.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.568 1.147 . . . . 0.0 112.064 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -36.05 30.05 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.443 1.497 . . . . 0.0 111.477 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.4 t -79.76 -58.5 3.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.91 -42.42 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.74 0.816 . . . . 0.0 110.42 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -42.87 84.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.556 0.616 . . . . 0.0 112.082 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -74.56 -14.01 60.74 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.506 1.123 . . . . 0.0 110.881 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -60.84 -49.45 77.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.252 0.621 . . . . 0.0 110.082 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -60.97 -37.94 84.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -24.94 31.25 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.341 1.056 . . . . 0.0 111.916 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -76.65 -49.49 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.181 1.392 . . . . 0.0 109.301 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.31 -40.47 77.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 120.39 -1.444 . . . . 0.0 109.001 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.48 5.96 9.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.602 1.161 . . . . 0.0 111.007 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.79 162.37 16.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 122.455 1.122 . . . . 0.0 112.914 -173.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.12 -58.47 8.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.767 1.627 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.33 179.91 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 125.662 1.585 . . . . 0.0 106.949 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -59.28 -56.63 19.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 111.918 165.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -52.79 60.01 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.19 -0.35 11.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.994 0.517 . . . . 0.0 111.582 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.62 -70.16 0.53 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.604 -1.31 . . . . 0.0 108.858 162.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -66.88 -25.24 66.3 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 111.188 -170.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.77 -36.8 27.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.208 1.003 . . . . 0.0 112.054 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -87.95 -28.63 21.36 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.91 -1.118 . . . . 0.0 111.802 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 ptp -67.08 -37.62 84.29 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.551 1.523 . . . . 0.0 111.13 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -11.51 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.516 1.526 . . . . 0.0 110.742 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -92.64 -5.95 50.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.941 0.896 . . . . 0.0 112.704 172.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.7 -48.05 3.49 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 120.247 -1.533 . . . . 0.0 109.002 -169.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.12 7.61 0.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.885 2.074 . . . . 0.0 114.89 -171.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -112.7 -37.98 4.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.499 1.92 . . . . 0.0 111.706 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.78 -23.03 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 119.339 0.972 . . . . 0.0 111.92 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.97 -58.23 5.35 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.12 -32.91 70.26 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.126 0.971 . . . . 0.0 113.484 -164.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -70.71 -26.0 63.21 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -24.33 19.4 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.837 -1.165 . . . . 0.0 112.543 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -142.13 -19.38 0.72 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -168.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 53.26 30.19 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 120.091 1.314 . . . . 0.0 113.562 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.28 173.17 11.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 117.698 0.749 . . . . 0.0 112.022 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 m -126.26 -41.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.35 16.95 0.9 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.097 -1.627 . . . . 0.0 112.44 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -66.39 -22.82 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 120.322 -1.486 . . . . 0.0 112.011 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -82.77 -14.67 54.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.368 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 -53.84 27.38 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 119.556 1.071 . . . . 0.0 109.717 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -27.1 65.71 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.404 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.2 m -56.25 -56.16 24.4 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 119.176 0.898 . . . . 0.0 109.791 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -74.64 -3.64 32.47 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.283 1.833 . . . . 0.0 111.189 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -71.89 0.53 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 170.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -65.03 -24.28 67.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -172.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.41 -52.1 17.47 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 119.738 1.154 . . . . 0.0 109.407 172.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.3 -29.09 69.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.975 0.893 . . . . 0.0 110.69 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -68.55 -27.26 65.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.898 -1.126 . . . . 0.0 111.612 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.25 -29.68 22.92 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 111.52 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.33 62.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.072 0.949 . . . . 0.0 113.462 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.223 -0.306 0 O-C-N 120.535 -1.353 . . . . 0.0 110.3 -178.733 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 123.124 1.44 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.78 2.05 25.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 67.17 157.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.187 2.995 . . . . 0.0 112.366 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -87.67 0.07 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -75.12 130.65 39.61 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.33 -19.52 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.308 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -45.02 -47.62 2.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 124.967 1.307 . . . . 0.0 109.529 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.83 -40.41 54.91 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 123.7 0.8 . . . . 0.0 111.972 -174.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.63 -36.44 76.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.956 0.502 . . . . 0.0 111.138 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.609 1.164 . . . . 0.0 110.157 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -52.19 -36.53 20.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 123.597 0.759 . . . . 0.0 111.038 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.29 -48.52 8.44 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 123.35 0.66 . . . . 0.0 110.363 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.37 -11.07 59.97 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.246 0.967 . . . . 0.0 111.657 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -62.35 -23.21 66.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.693 -1.255 . . . . 0.0 109.98 164.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.43 -73.38 0.65 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.829 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.98 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.178 1.391 . . . . 0.0 113.476 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.301 7.5 p 42.02 129.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 130.818 3.647 . . . . 0.0 116.153 174.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -93.57 100.51 12.76 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.995 -1.69 . . . . 0.0 108.341 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -55.67 -37.81 68.78 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.218 1.007 . . . . 0.0 110.278 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 m -79.86 46.56 0.79 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.086 1.754 . . . . 0.0 111.248 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 t -154.52 159.57 41.03 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.448 1.899 . . . . 0.0 106.942 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -20.72 57.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 162.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.3 -58.31 7.51 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.035 0.934 . . . . 0.0 112.003 -172.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -45.62 -44.92 13.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.706 0.685 . . . . 0.0 111.829 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.0 66.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.049 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -47.04 -43.85 20.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.517 1.527 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.47 -55.38 5.74 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.377 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -57.97 -39.96 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 O-C-N 123.91 0.756 . . . . 0.0 110.861 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -44.16 47.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 122.712 0.405 . . . . 0.0 111.588 -176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tt -74.82 -26.63 59.85 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.608 -0.682 . . . . 0.0 109.679 -171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -48.1 -55.73 9.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.284 1.034 . . . . 0.0 109.937 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -39.47 92.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.35 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.9 -18.99 48.98 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.562 -1.208 . . . . 0.0 111.741 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.58 -62.38 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 120.131 1.332 . . . . 0.0 108.496 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.52 -35.9 82.46 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.632 1.206 . . . . 0.0 108.492 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.01 9.93 9.1 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.84 2.056 . . . . 0.0 110.73 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.43 -177.97 1.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.225 1.012 . . . . 0.0 111.16 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -87.12 -52.53 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.602 0.761 . . . . 0.0 110.636 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.09 173.25 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -171.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -50.46 73.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.931 0.892 . . . . 0.0 111.343 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -60.72 -49.59 76.88 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.72 -38.16 80.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.34 0.656 . . . . 0.0 110.451 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.09 84.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.635 0.774 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.46 -21.18 16.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 119.225 0.92 . . . . 0.0 111.494 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.12 -49.96 30.25 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.08 0.952 . . . . 0.0 108.48 168.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -70.19 -33.22 71.45 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.356 -1.307 . . . . 0.0 113.326 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -66.82 -40.24 87.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 121.163 1.801 . . . . 0.0 110.278 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.68 -22.39 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -81.96 -8.01 59.65 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.283 -1.511 . . . . 0.0 113.236 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -57.01 3.06 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 120.232 1.378 . . . . 0.0 111.38 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.62 -47.82 10.44 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.476 1.51 . . . . 0.0 113.698 -162.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -28.91 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.926 2.49 . . . . 0.0 109.61 -170.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.02 -52.17 59.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -39.36 51.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.833 -171.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.44 -41.41 94.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 119.127 0.876 . . . . 0.0 109.595 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -75.13 6.56 4.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.684 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.27 -5.49 8.86 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.947 1.249 . . . . 0.0 112.85 168.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.43 -33.95 0.26 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -164.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 32.62 56.94 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 120.281 1.4 . . . . 0.0 114.534 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.22 146.37 53.54 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.78 1.29 . . . . 0.0 112.514 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 m -85.29 -55.26 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.772 0.829 . . . . 0.0 109.937 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -83.03 21.25 1.08 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.725 1.61 . . . . 0.0 112.632 -158.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 tp -66.14 -15.15 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 120.786 -1.197 . . . . 0.0 112.638 -168.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -94.28 -13.25 26.7 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.028 1.731 . . . . 0.0 111.716 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -50.49 32.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.764 0.711 . . . . 0.0 110.386 -167.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -33.85 74.56 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.489 0.493 . . . . 0.0 110.602 172.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.33 -49.07 79.06 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.273 0.942 . . . . 0.0 108.911 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.52 -9.0 30.31 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.185 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.262 3.1 pt-20 -88.58 -63.78 1.24 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 120.779 1.627 . . . . 0.0 108.894 166.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -67.08 -21.39 65.88 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.643 1.177 . . . . 0.0 113.065 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.21 -24.91 61.47 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.935 -0.478 . . . . 0.0 110.721 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.8 -30.56 11.63 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 123.368 0.667 . . . . 0.0 112.249 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.08 -15.81 57.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.716 -0.615 . . . . 0.0 111.634 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -30.71 16.03 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.0 112.795 167.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.48 -23.87 56.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.326 1.45 . . . . 0.0 111.317 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 126.343 1.857 . . . . 0.0 111.402 179.01 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 122.419 1.104 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 38.53 0.89 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.8 -1.188 . . . . 0.0 110.484 -169.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 55.68 -66.35 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 128.972 2.909 . . . . 0.0 113.068 -168.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.271 3.2 p 75.55 -164.96 0.07 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 128.098 2.559 . . . . 0.0 110.66 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -43.44 112.76 0.41 Allowed 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 130.244 3.418 . . . . 0.0 109.942 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 m -51.92 -17.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 124.757 1.223 . . . . 0.0 113.969 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.65 -47.59 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.49 1.516 . . . . 0.0 109.89 172.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.84 -44.28 15.65 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.74 -43.54 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.859 -0.526 . . . . 0.0 110.536 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -58.88 -26.41 64.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.395 1.078 . . . . 0.0 111.898 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.32 -39.22 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 119.981 1.264 . . . . 0.0 109.905 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -40.65 17.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.044 0.838 . . . . 0.0 109.906 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.85 -15.21 63.44 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.51 1.524 . . . . 0.0 111.859 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.07 -37.05 68.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 109.531 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.09 -86.19 0.32 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.26 27.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.704 1.602 . . . . 0.0 112.224 -166.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.32 148.2 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.377 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -97.1 112.5 24.25 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -49.77 -42.52 46.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.766 1.626 . . . . 0.0 109.704 166.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.5 p -80.05 39.5 0.44 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.961 -1.087 . . . . 0.0 112.345 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -138.82 151.45 47.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 162.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.28 7.53 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.81 -42.43 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.799 0.727 . . . . 0.0 110.977 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -54.3 -47.79 72.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.451 0.701 . . . . 0.0 111.765 170.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -36.78 52.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 -168.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -43.67 -45.06 6.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.733 1.213 . . . . 0.0 111.3 171.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.8 -49.78 35.63 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.114 -171.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.65 -39.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.7 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -43.84 64.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.542 1.064 . . . . 0.0 109.729 -173.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -31.71 69.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.02 0.928 . . . . 0.0 111.176 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -56.43 -49.38 74.74 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.043 0.937 . . . . 0.0 110.681 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -58.47 -45.84 87.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.5 -5.18 18.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.188 1.395 . . . . 0.0 112.621 -165.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.09 -48.29 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.731 2.012 . . . . 0.0 108.683 168.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.0 mt -72.79 -24.39 60.92 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.372 1.069 . . . . 0.0 111.202 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -91.48 1.98 56.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.769 0.828 . . . . 0.0 111.401 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.77 178.89 2.4 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.966 0.906 . . . . 0.0 113.397 -166.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.36 -86.12 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 170.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -105.07 179.29 4.31 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 125.038 1.335 . . . . 0.0 108.749 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.7 m -58.51 -58.87 6.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.729 0.411 . . . . 0.0 110.72 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 t -55.94 -47.85 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.86 0.864 . . . . 0.0 108.849 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.11 -19.17 61.84 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.621 0.769 . . . . 0.0 111.09 -175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.93 -69.76 0.26 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 167.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -71.85 -21.31 61.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.844 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.91 -38.32 35.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.716 1.144 . . . . 0.0 112.196 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -82.52 -27.79 31.5 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.021 -1.049 . . . . 0.0 113.235 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.82 -37.87 87.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.611 1.551 . . . . 0.0 110.124 171.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.72 -27.46 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 109.672 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -1.76 24.18 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 171.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' A' ' 59' ' ' SER 0.292 0.2 OUTLIER -115.12 -25.6 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 168.22 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 3.03 0.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 O-C-N 119.597 -1.94 . . . . 0.0 115.499 -174.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 57' ' ' LEU . 1.4 m -123.66 -51.57 1.82 Allowed 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 126.394 1.878 . . . . 0.0 108.255 -175.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.39 -32.56 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.382 1.873 . . . . 0.0 113.098 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.49 -43.02 10.52 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 125.738 1.615 . . . . 0.0 110.121 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.53 -35.25 80.32 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 19.11 0.87 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.935 1.294 . . . . 0.0 110.54 173.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -23.47 4.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.09 -1.631 . . . . 0.0 112.383 162.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.22 -25.46 0.85 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 119.146 3.017 . . . . 0.0 119.146 -162.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.46 53.26 5.17 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.24 1.382 . . . . 0.0 114.502 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.04 170.87 8.98 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.582 1.691 . . . . 0.0 111.727 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.23 -36.26 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.22 1.008 . . . . 0.0 113.483 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -76.61 15.74 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.81 -1.182 . . . . 0.0 112.728 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.65 -29.49 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 124.992 1.317 . . . . 0.0 111.12 -168.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -90.01 -6.96 55.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.392 1.077 . . . . 0.0 112.569 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -59.02 3.52 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.072 1.305 . . . . 0.0 109.739 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -22.51 63.25 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.774 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.6 m -58.2 -57.58 12.25 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.077 0.853 . . . . 0.0 109.48 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.41 -19.22 65.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.252 1.021 . . . . 0.0 112.204 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -68.53 0.45 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.764 0.826 . . . . 0.0 109.978 169.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -75.61 -18.62 59.65 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -163.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -52.23 50.6 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 119.137 0.88 . . . . 0.0 108.955 162.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.22 -39.41 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.292 0.568 . . . . 0.0 111.007 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.85 -18.84 64.55 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 117.387 -1.292 . . . . 0.0 111.844 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -42.34 11.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 121.051 1.751 . . . . 0.0 111.073 166.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.55 73.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.323 1.449 . . . . 0.0 112.456 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.035 -170.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 1.84 18.09 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 50.95 177.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 129.268 3.027 . . . . 0.0 113.025 -171.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t 177.81 170.34 0.67 Allowed 'General case' 0 C--O 1.239 0.512 0 C-N-CA 129.084 2.954 . . . . 0.0 107.018 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m 43.83 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.655 2.382 . . . . 0.0 113.493 160.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.46 -22.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 116.591 -1.671 . . . . 0.0 114.912 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.02 -39.61 3.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 120.381 1.446 . . . . 0.0 111.787 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.29 4.29 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.961 1.255 . . . . 0.0 110.338 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.5 -38.77 88.54 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.323 -0.86 . . . . 0.0 113.0 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.74 -37.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.636 1.574 . . . . 0.0 111.123 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.27 -38.75 63.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 119.934 1.243 . . . . 0.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.72 -46.02 10.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.996 0.817 . . . . 0.0 110.535 -171.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.06 -24.58 67.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.62 -29.28 17.03 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.098 1.359 . . . . 0.0 111.004 172.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.92 -87.73 0.41 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.129 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.9 25.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.377 0.99 . . . . 0.0 112.716 -166.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.48 155.23 4.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 125.769 1.628 . . . . 0.0 112.367 -170.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -118.47 109.5 16.3 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.187 1.395 . . . . 0.0 109.26 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -56.13 -31.99 63.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.935 0.894 . . . . 0.0 111.091 166.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -71.77 15.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.759 2.024 . . . . 0.0 113.305 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -137.73 160.98 37.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 120.163 1.347 . . . . 0.0 109.031 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -26.63 58.86 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 173.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.27 -43.07 87.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.048 0.539 . . . . 0.0 111.754 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.6 t90 -55.62 -38.2 69.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.931 0.787 . . . . 0.0 111.171 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -26.1 48.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 112.158 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -55.93 -21.84 22.84 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.445 1.098 . . . . 0.0 112.444 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -33.5 7.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.711 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.25 -72.91 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 119.122 0.874 . . . . 0.0 109.622 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.97 70.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.882 1.219 . . . . 0.0 110.799 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.01 -8.67 57.82 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.298 -174.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -79.5 -46.23 17.81 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.212 0.914 . . . . 0.0 110.005 164.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -63.58 -44.44 94.06 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.89 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.04 -29.74 45.13 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.497 1.519 . . . . 0.0 111.23 -170.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.7 mm -57.07 -63.81 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 128.723 2.809 . . . . 0.0 110.375 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.3 -3.96 30.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.016 0.926 . . . . 0.0 110.642 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.52 3.76 11.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 129.169 2.988 . . . . 0.0 110.426 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 178.64 3.0 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.264 1.026 . . . . 0.0 111.874 -170.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -64.82 -70.19 0.24 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -133.76 171.58 13.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 m -49.82 -54.77 17.27 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.384 1.473 . . . . 0.0 111.937 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -65.2 -40.06 93.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -168.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.56 -21.2 49.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -69.48 0.26 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.681 1.192 . . . . 0.0 109.535 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -19.66 63.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.046 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -30.56 5.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.55 1.94 . . . . 0.0 114.82 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -26.7 16.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.845 0.748 . . . . 0.0 112.743 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 ttm -60.14 -52.62 64.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.972 1.309 . . . . 0.0 110.419 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.81 -11.0 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 120.952 -1.093 . . . . 0.0 113.793 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -108.11 9.16 28.35 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.34 1.856 . . . . 0.0 111.354 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 pp -115.25 -42.39 3.18 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.21 1.368 . . . . 0.0 110.282 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -59.36 -30.99 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 119.218 0.917 . . . . 0.0 111.902 -170.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -74.18 -38.82 63.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 108.463 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.39 -50.07 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.036 1.734 . . . . 0.0 109.177 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.21 -59.17 5.83 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.058 0.943 . . . . 0.0 108.799 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.35 -29.45 70.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.392 -0.814 . . . . 0.0 110.896 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.1 t -77.13 13.98 1.0 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.081 0.855 . . . . 0.0 112.117 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -18.16 2.81 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.6 1.091 . . . . 0.0 112.931 169.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 6.8 pt20 -128.57 -70.98 0.66 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.496 -172.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.58 49.95 0.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -165.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.09 165.34 20.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.08 -39.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 123.742 0.817 . . . . 0.0 112.068 -176.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -79.43 11.54 2.94 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.779 -0.575 . . . . 0.0 111.572 -171.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.8 tp -66.16 -20.33 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.82 1.248 . . . . 0.0 111.633 -173.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.52 -13.2 46.65 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 112.28 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -68.78 -61.53 1.77 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 120.426 1.466 . . . . 0.0 110.291 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -29.06 64.63 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.085 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.34 -50.79 71.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.55 -9.64 58.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.256 1.022 . . . . 0.0 111.353 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -72.85 0.2 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.671 -1.268 . . . . 0.0 107.974 156.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -61.43 -28.87 69.57 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.78 -54.71 17.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 119.949 1.25 . . . . 0.0 111.0 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.11 -32.99 74.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.272 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.41 -23.88 67.59 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -91.41 -31.08 16.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.201 1.364 . . . . 0.0 111.182 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.6 -31.2 70.21 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.033 1.333 . . . . 0.0 110.275 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.923 1.689 . . . . 0.0 111.308 179.052 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 123.634 1.683 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 pttt -95.83 89.96 5.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 126.865 2.066 . . . . 0.0 110.506 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -64.65 130.37 43.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.431 1.11 . . . . 0.0 111.436 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -142.68 166.08 25.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 127.573 2.349 . . . . 0.0 106.3 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m 44.45 107.56 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.03 2.532 . . . . 0.0 115.521 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.78 -20.73 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 119.906 -1.746 . . . . 0.0 113.248 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -37.88 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.39 1.076 . . . . 0.0 111.846 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -54.09 5.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 120.06 1.3 . . . . 0.0 108.787 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.46 -39.54 81.38 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.462 1.905 . . . . 0.0 112.172 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 t -55.05 -48.5 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 125.696 1.598 . . . . 0.0 109.462 172.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.97 -23.26 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.282 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.85 -48.72 7.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.336 1.426 . . . . 0.0 110.309 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.6 -17.99 62.89 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.994 0.918 . . . . 0.0 112.871 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -58.51 -23.52 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.468 1.507 . . . . 0.0 111.291 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 HE21 ' A' ' 65' ' ' GLN . 1.9 mm? -108.61 -80.84 0.57 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.905 0.775 . . . . 0.0 109.804 -173.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.9 26.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.545 1.938 . . . . 0.0 112.446 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.56 153.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-O 122.522 1.153 . . . . 0.0 110.85 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -108.68 112.24 24.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -60.06 -30.73 69.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.83 0.452 . . . . 0.0 110.165 170.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 t -70.91 23.49 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.891 1.676 . . . . 0.0 112.899 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -133.13 157.18 45.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 120.479 1.49 . . . . 0.0 109.188 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -20.34 48.47 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.608 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.42 -52.76 64.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 118.267 0.485 . . . . 0.0 110.925 -174.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -54.36 -35.94 63.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.602 -0.686 . . . . 0.0 111.215 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 -31.44 45.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.8 -49.1 49.98 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 125.792 1.637 . . . . 0.0 108.494 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.22 -42.67 54.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.037 -172.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.58 -59.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.22 1.408 . . . . 0.0 109.99 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -44.42 82.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.349 0.977 . . . . 0.0 111.326 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.64 -27.86 66.38 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.38 -0.825 . . . . 0.0 110.962 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -57.22 -49.01 77.35 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.356 0.98 . . . . 0.0 111.177 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.35 -49.14 77.09 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -61.46 -16.73 49.87 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 117.726 -1.13 . . . . 0.0 112.401 -170.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.67 -68.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 170.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.36 -26.42 67.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.968 0.907 . . . . 0.0 109.621 -171.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.99 -0.65 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.941 1.296 . . . . 0.0 110.956 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 170.25 0.63 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.661 0.784 . . . . 0.0 110.883 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -66.96 0.5 Allowed 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 172.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -125.0 170.54 11.03 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.596 1.189 . . . . 0.0 110.45 -165.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.0 m -50.11 -53.03 30.16 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.014 2.126 . . . . 0.0 112.209 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -62.45 -46.15 89.84 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 119.25 -0.98 . . . . 0.0 108.572 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.24 -26.25 62.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.86 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.82 83.01 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.626 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -102.91 -23.35 13.74 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.06 -23.68 21.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.747 1.219 . . . . 0.0 113.075 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -34.71 15.76 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 117.659 -1.162 . . . . 0.0 112.952 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptp -65.11 -38.57 91.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.0 1.727 . . . . 0.0 111.42 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.61 -19.88 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 122.183 0.992 . . . . 0.0 112.716 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.2 m -101.38 16.19 26.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.132 2.573 . . . . 0.0 110.606 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -59.45 1.64 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.04 7.44 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.859 2.464 . . . . 0.0 116.569 -167.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -134.92 -19.35 1.78 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.456 2.302 . . . . 0.0 111.064 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.86 -39.71 75.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 119.998 -1.689 . . . . 0.0 109.279 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mt -72.07 -42.16 66.56 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.079 0.952 . . . . 0.0 109.274 -172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.36 -34.47 66.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 14.66 1.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.804 0.841 . . . . 0.0 112.047 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.45 -6.34 4.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 112.739 167.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.405 HE21 HD21 ' A' ' 22' ' ' LEU . 6.5 pt20 -154.31 -28.61 0.12 Allowed 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -173.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.79 68.29 1.72 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.964 1.269 . . . . 0.0 111.852 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.12 175.24 9.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.536 1.534 . . . . 0.0 112.476 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -56.66 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.17 1.388 . . . . 0.0 114.115 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -73.81 16.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.552 2.741 . . . . 0.0 111.987 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.22 -24.43 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.565 1.146 . . . . 0.0 112.112 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -85.8 -10.87 54.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.933 -0.479 . . . . 0.0 111.469 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -49.41 70.15 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -171.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -33.5 70.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.233 173.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.3 m -69.08 -24.62 64.16 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 119.903 1.229 . . . . 0.0 112.647 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -95.27 -5.69 43.08 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.986 0.812 . . . . 0.0 110.841 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -103.19 -63.88 1.13 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.418 1.087 . . . . 0.0 109.5 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -68.02 -33.53 74.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.653 -1.279 . . . . 0.0 112.523 -171.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.45 -30.78 71.81 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.389 -0.819 . . . . 0.0 109.43 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.66 -40.02 30.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 110.446 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.07 -11.97 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.748 1.219 . . . . 0.0 113.637 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -30.13 14.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 120.364 1.438 . . . . 0.0 112.124 165.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.12 89.91 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 129.511 3.124 . . . . 0.0 111.415 178.75 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -2.55 27.6 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.194 -0.941 . . . . 0.0 113.429 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.7 m 48.33 52.23 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.757 1.265 . . . . 0.0 110.794 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -59.52 168.5 1.58 Allowed 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.495 1.918 . . . . 0.0 108.025 151.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.37 97.84 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.411 2.685 . . . . 0.0 113.6 166.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -55.22 -18.81 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 120.483 -1.386 . . . . 0.0 114.489 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.27 -27.51 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.019 0.827 . . . . 0.0 110.91 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -50.04 12.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 124.202 1.953 . . . . 0.0 108.906 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.2 -40.64 96.51 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 128.126 2.571 . . . . 0.0 110.172 -165.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -59.45 -44.07 93.03 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.952 1.301 . . . . 0.0 109.231 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.38 -17.86 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.488 1.115 . . . . 0.0 111.498 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -49.09 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 120.165 -1.584 . . . . 0.0 109.702 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -67.71 -18.73 65.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.887 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.34 -30.79 19.69 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.111 1.364 . . . . 0.0 111.008 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.95 -87.2 0.59 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.801 -164.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.51 39.08 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.799 2.44 . . . . 0.0 109.999 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.03 132.66 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 121.334 -0.853 . . . . 0.0 110.711 -173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.05 94.57 0.07 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.632 1.573 . . . . 0.0 108.246 166.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 p -66.81 -4.75 9.96 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 112.073 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -95.26 -2.12 50.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.758 1.623 . . . . 0.0 112.326 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 m -117.18 163.33 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 121.502 1.955 . . . . 0.0 111.638 -171.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -28.2 62.45 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.851 -0.531 . . . . 0.0 111.843 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.9 -49.56 68.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.581 0.352 . . . . 0.0 110.84 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.45 -44.64 65.64 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 122.375 0.27 . . . . 0.0 110.549 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -31.7 71.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.438 -0.792 . . . . 0.0 111.945 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -58.17 -21.02 45.42 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 120.172 1.351 . . . . 0.0 112.521 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -55.88 3.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 165.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.55 -55.06 25.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -168.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -21.18 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.6 -0.687 . . . . 0.0 112.071 -178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.3 -19.35 23.06 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.812 -0.555 . . . . 0.0 109.852 -168.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -59.96 -59.36 5.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.264 1.026 . . . . 0.0 111.682 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.99 -32.73 69.95 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.254 -0.279 . . . . 0.0 110.865 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -16.14 49.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.572 -1.204 . . . . 0.0 112.594 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -77.61 -46.27 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.7 -32.7 72.7 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.487 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.92 -0.02 57.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.946 0.499 . . . . 0.0 110.918 -176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 170.42 16.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.155 0.979 . . . . 0.0 111.548 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -71.44 -74.09 0.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.301 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -103.44 170.5 7.91 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -60.22 -47.97 83.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.536 1.134 . . . . 0.0 112.096 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 t -58.7 -42.32 88.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 108.856 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -27.57 57.89 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.673 -0.642 . . . . 0.0 111.329 -174.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.98 -62.94 1.37 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.205 1.002 . . . . 0.0 109.758 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -20.23 62.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.133 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -53.79 -26.29 23.15 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.109 -0.994 . . . . 0.0 112.556 168.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.66 -46.6 45.57 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 120.727 -1.233 . . . . 0.0 111.797 171.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.54 -37.42 82.67 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.384 0.993 . . . . 0.0 110.907 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.17 -4.89 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 125.274 1.429 . . . . 0.0 111.237 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.0 m -112.43 10.16 19.75 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.286 1.434 . . . . 0.0 112.102 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pp -120.22 -32.9 4.03 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.683 1.583 . . . . 0.0 111.602 171.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.61 2.64 2.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.989 1.716 . . . . 0.0 113.66 -170.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -127.57 -15.16 5.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.983 2.513 . . . . 0.0 110.56 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.06 -61.77 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -37.0 73.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -164.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.55 -37.25 86.61 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.983 0.513 . . . . 0.0 110.079 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 18.52 0.64 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.236 0.541 . . . . 0.0 111.989 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -1.79 3.12 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.458 -1.258 . . . . 0.0 113.348 165.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -152.31 -25.76 0.17 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 118.124 2.638 . . . . 0.0 118.124 -164.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.62 48.02 52.79 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 120.574 1.534 . . . . 0.0 114.377 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.98 174.5 10.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.79 1.295 . . . . 0.0 111.467 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.42 -55.34 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -76.74 27.08 0.13 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.383 1.473 . . . . 0.0 112.35 -167.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.2 tp -63.3 -31.28 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 O-C-N 120.325 -1.484 . . . . 0.0 109.87 -171.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -75.17 -18.05 60.26 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.303 0.641 . . . . 0.0 111.538 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -49.23 69.0 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 120.384 1.447 . . . . 0.0 110.505 -172.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -34.37 74.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.556 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.57 -14.11 56.14 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.214 0.915 . . . . 0.0 113.005 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -116.41 22.51 12.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.659 1.584 . . . . 0.0 109.093 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -135.82 -65.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.809 0.844 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.57 -27.6 68.74 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 121.234 1.834 . . . . 0.0 112.552 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.24 -49.88 72.38 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.753 0.821 . . . . 0.0 108.901 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.36 -37.9 85.04 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.724 1.21 . . . . 0.0 112.125 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -66.6 -25.49 66.64 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.423 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -34.59 15.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.865 1.212 . . . . 0.0 110.837 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -16.14 62.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 123.612 0.765 . . . . 0.0 110.514 171.085 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 3.1 10.23 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.276 1.6 p 68.37 167.58 0.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.765 2.826 . . . . 0.0 111.3 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -172.98 -67.35 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.88 1.272 . . . . 0.0 108.521 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -113.17 134.2 54.68 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.702 2.001 . . . . 0.0 106.245 -167.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.82 -20.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.787 -0.571 . . . . 0.0 111.509 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.84 -33.77 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 127.024 2.13 . . . . 0.0 112.285 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -54.6 6.12 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.55 -41.12 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 127.083 2.153 . . . . 0.0 112.78 -161.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -62.18 -36.02 80.6 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.841 0.856 . . . . 0.0 109.832 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.6 -27.08 40.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 O-C-N 121.043 -1.036 . . . . 0.0 109.699 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -45.02 17.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.221 1.373 . . . . 0.0 108.518 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.5 -8.55 48.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.013 2.125 . . . . 0.0 112.414 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -67.6 -32.58 73.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.396 0.998 . . . . 0.0 110.221 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 HD22 HE21 ' A' ' 65' ' ' GLN . 2.1 mm? -105.48 -85.75 0.48 Allowed 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.509 0.595 . . . . 0.0 110.229 -165.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.6 35.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.176 1.79 . . . . 0.0 111.182 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.28 147.27 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -170.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.83 88.61 1.03 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.209 -1.814 . . . . 0.0 108.288 165.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 p -66.69 -33.27 75.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -74.06 29.76 0.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.661 1.184 . . . . 0.0 112.066 172.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -150.41 171.1 17.57 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.023 -1.673 . . . . 0.0 110.962 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.472 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.71 -56.55 20.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.068 -0.491 . . . . 0.0 109.708 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -50.75 -37.75 43.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.705 0.684 . . . . 0.0 112.331 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.66 60.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 116.711 -1.614 . . . . 0.0 113.388 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.18 -43.59 10.17 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.488 1.495 . . . . 0.0 109.434 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.36 -54.35 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.127 0.892 . . . . 0.0 110.791 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.46 -25.39 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.731 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -44.35 15.92 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.401 1.455 . . . . 0.0 110.452 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.48 -12.06 59.59 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.649 -0.657 . . . . 0.0 111.477 -167.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.21 -57.11 14.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.066 0.936 . . . . 0.0 109.835 167.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -37.18 83.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -167.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -23.7 4.73 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 125.734 1.614 . . . . 0.0 112.49 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.07 -64.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.11 -33.81 72.63 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.338 1.055 . . . . 0.0 109.295 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.93 -0.63 56.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.943 1.697 . . . . 0.0 111.703 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 170.69 1.29 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.377 1.071 . . . . 0.0 112.621 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -62.52 -56.89 13.76 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.087 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -136.31 178.24 7.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.071 0.949 . . . . 0.0 110.89 -163.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 m -55.62 -61.89 2.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.258 1.423 . . . . 0.0 111.436 173.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -65.04 -46.2 82.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -171.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.44 -20.77 66.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.807 2.043 . . . . 0.0 112.109 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.81 -52.46 43.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 118.391 0.541 . . . . 0.0 110.41 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -84.87 -24.22 28.64 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.184 -0.948 . . . . 0.0 111.6 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.98 -18.72 59.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.643 1.177 . . . . 0.0 113.482 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.67 -33.7 14.96 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.896 -1.127 . . . . 0.0 112.193 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptp -68.46 -31.38 70.63 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.965 1.257 . . . . 0.0 112.408 -174.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.5 -32.09 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.495 1.518 . . . . 0.0 110.525 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.0 m -85.86 1.63 49.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.514 -1.366 . . . . 0.0 111.626 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.67 -46.23 6.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.12 1.768 . . . . 0.0 112.194 166.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.99 2.4 5.72 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 118.963 -2.336 . . . . 0.0 117.19 -167.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -114.36 -33.85 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.789 1.177 . . . . 0.0 110.737 172.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.97 -30.37 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 121.441 -0.787 . . . . 0.0 112.885 -172.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.66 -46.28 63.53 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.198 0.908 . . . . 0.0 108.734 170.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.3 -38.01 76.2 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 121.944 -0.473 . . . . 0.0 111.715 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.2 t -63.92 -5.18 4.07 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.674 1.59 . . . . 0.0 112.07 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 -3.35 6.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.608 1.163 . . . . 0.0 113.028 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.427 HE21 HD22 ' A' ' 22' ' ' LEU . 7.3 pt20 -154.35 -16.47 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.84 59.61 8.47 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 120.019 1.281 . . . . 0.0 113.269 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 178.35 2.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.711 0.804 . . . . 0.0 111.633 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m -113.34 -62.52 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 118.75 -0.643 . . . . 0.0 112.154 170.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -66.97 20.74 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.423 3.089 . . . . 0.0 114.531 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tp -69.26 -23.15 26.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 120.611 -1.306 . . . . 0.0 110.924 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -81.98 -18.51 43.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 118.809 0.731 . . . . 0.0 109.058 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -29.74 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.704 -1.247 . . . . 0.0 110.761 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mp -53.09 -57.17 11.32 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.161 1.384 . . . . 0.0 110.459 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.3 p -52.8 -48.72 66.7 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.98 5.52 11.47 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 118.516 -1.274 . . . . 0.0 111.985 -172.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -107.96 -85.71 0.52 Allowed 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.747 1.619 . . . . 0.0 109.001 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -59.84 -25.06 64.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.39 1.076 . . . . 0.0 113.347 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -46.58 32.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.657 -1.277 . . . . 0.0 109.12 176.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.32 -37.43 83.24 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.863 0.865 . . . . 0.0 110.05 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -77.45 -20.61 54.2 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 125.949 1.7 . . . . 0.0 113.305 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -36.92 24.66 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 121.812 2.096 . . . . 0.0 108.903 166.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -1.41 12.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.214 1.406 . . . . 0.0 114.163 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.547 0.836 0 CA-C-N 118.554 0.615 . . . . 0.0 111.648 178.734 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 122.492 1.139 . . . . 0.0 107.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.1 26.81 8.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p 44.92 35.8 1.66 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.281 2.232 . . . . 0.0 113.871 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -55.62 127.29 29.18 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.075 2.55 . . . . 0.0 105.729 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 m 54.67 110.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 129.876 3.27 . . . . 0.0 115.093 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -20.04 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 O-C-N 120.334 -1.479 . . . . 0.0 114.462 174.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 t -45.32 -43.74 3.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 124.493 1.117 . . . . 0.0 109.224 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -44.74 14.61 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.091 0.957 . . . . 0.0 113.038 178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -41.28 80.35 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.279 0.945 . . . . 0.0 111.179 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -34.21 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 117.268 -1.349 . . . . 0.0 112.449 174.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.88 -5.74 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 120.555 1.525 . . . . 0.0 111.31 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -114.82 -37.87 4.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.949 1.704 . . . . 0.0 110.617 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -69.93 -28.15 65.35 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.142 1.777 . . . . 0.0 111.45 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.14 -18.61 58.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.828 1.251 . . . . 0.0 110.622 171.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.45 -86.66 0.49 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.786 -171.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.88 28.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.511 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.72 149.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.25 1.02 . . . . 0.0 109.689 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.0 127.07 49.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -52.35 -48.55 65.46 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.094 1.358 . . . . 0.0 110.556 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -70.25 31.89 0.04 OUTLIER 'General case' 0 C--O 1.238 0.459 0 C-N-CA 129.852 3.261 . . . . 0.0 113.716 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -140.56 141.22 35.25 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.931 1.292 . . . . 0.0 108.348 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -24.54 16.15 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.46 -40.23 78.05 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 125.1 1.36 . . . . 0.0 111.592 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -58.02 -37.38 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.613 0.244 . . . . 0.0 111.282 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 -29.11 27.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -55.33 -21.96 17.16 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.668 1.587 . . . . 0.0 114.17 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.6 -50.1 3.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.05 -64.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.969 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.39 72.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.958 1.254 . . . . 0.0 111.685 -171.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -20.91 62.26 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 121.615 -0.678 . . . . 0.0 110.86 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -58.65 -59.11 5.92 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.779 0.718 . . . . 0.0 110.823 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -64.23 -27.88 69.36 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.8 -0.563 . . . . 0.0 111.743 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -62.29 -12.32 20.11 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.843 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -80.71 -46.78 21.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 121.46 1.936 . . . . 0.0 106.02 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.95 -10.12 59.45 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.304 1.042 . . . . 0.0 111.506 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -111.24 11.6 21.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.085 1.354 . . . . 0.0 110.653 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 176.7 4.6 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.087 -1.008 . . . . 0.0 112.043 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -85.79 -84.69 0.16 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.396 1.478 . . . . 0.0 109.394 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -79.65 173.7 12.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -69.74 -48.63 58.69 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.468 167.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -55.41 -47.82 75.31 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.49 2.58 13.37 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.705 -0.622 . . . . 0.0 111.938 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.14 -62.22 1.57 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 108.699 164.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -70.32 -23.24 62.8 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.051 -1.031 . . . . 0.0 111.631 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.91 -16.53 18.06 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.852 -1.155 . . . . 0.0 113.469 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.99 -24.42 14.93 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 120.578 1.535 . . . . 0.0 112.373 169.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.8 ptp -69.14 -37.05 78.08 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 121.234 1.834 . . . . 0.0 110.947 173.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.01 -14.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-O 121.729 0.775 . . . . 0.0 110.118 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.1 m -78.27 3.61 14.96 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 119.829 -1.795 . . . . 0.0 112.809 167.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.42 -50.8 2.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.577 1.989 . . . . 0.0 113.739 -169.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 6.96 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.978 1.711 . . . . 0.0 115.172 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -133.77 7.65 3.79 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 126.53 1.932 . . . . 0.0 112.847 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.72 -22.19 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 119.811 -1.806 . . . . 0.0 113.365 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER -111.36 -36.6 5.51 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.292 1.437 . . . . 0.0 110.665 -172.106 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -22.96 66.61 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.333 1.453 . . . . 0.0 111.223 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -64.63 -32.58 74.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.982 2.913 . . . . 0.0 108.162 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.99 -0.71 57.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.209 -0.901 . . . . 0.0 112.358 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' ' H ' ' A' ' 66' ' ' GLY . 2.5 pt20 -146.03 -85.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.855 1.207 . . . . 0.0 113.269 -167.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' H ' ' HG3' ' A' ' 65' ' ' GLN . . . 120.67 92.89 1.31 Allowed Glycine 0 C--N 1.341 0.845 0 C-N-CA 126.035 1.778 . . . . 0.0 111.653 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.6 176.12 7.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.707 1.603 . . . . 0.0 112.587 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.78 -34.67 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.95 24.35 12.92 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.29 -1.506 . . . . 0.0 110.147 -166.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.43 -28.28 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 123.077 1.417 . . . . 0.0 111.297 -174.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -75.76 -15.14 60.31 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.989 1.715 . . . . 0.0 111.111 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -40.85 54.08 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 120.492 -1.38 . . . . 0.0 110.493 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.37 -31.76 72.23 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.92 171.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.7 m -59.07 -57.59 12.38 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.524 1.057 . . . . 0.0 110.084 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.38 -16.84 63.04 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.363 1.04 . . . . 0.0 111.818 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -73.25 -72.24 0.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.024 0.829 . . . . 0.0 108.92 167.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -68.32 -21.42 64.75 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 120.015 -1.678 . . . . 0.0 113.958 -164.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -51.56 58.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 119.87 1.214 . . . . 0.0 108.818 170.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.79 -39.81 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.26 1.024 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.37 -18.16 65.19 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.128 0.971 . . . . 0.0 112.686 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.93 -28.36 9.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.708 1.14 . . . . 0.0 111.584 174.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.44 63.27 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 124.529 1.132 . . . . 0.0 111.912 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 124.763 1.225 . . . . 0.0 109.768 179.471 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.439 -1.013 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.65 10.33 17.98 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.297 1.8 p 67.41 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 129.018 2.927 . . . . 0.0 112.623 -171.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.388 0.6 OUTLIER 75.24 -162.08 0.06 Allowed 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.856 1.662 . . . . 0.0 110.385 171.52 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -44.46 127.47 5.91 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 131.232 3.813 . . . . 0.0 109.252 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -59.16 -22.34 21.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.83 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -50.02 -31.98 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.543 1.537 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.4 -51.08 6.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.825 1.298 . . . . 0.0 108.78 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.62 -41.83 99.23 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.896 -166.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -50.87 -39.48 54.03 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.574 1.949 . . . . 0.0 110.893 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.13 -34.72 72.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 C-N-CA 125.716 1.606 . . . . 0.0 111.326 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -44.51 17.69 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 120.765 -1.209 . . . . 0.0 109.577 177.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.91 -29.59 70.54 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.122 1.369 . . . . 0.0 112.19 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -67.85 -9.18 42.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.806 1.184 . . . . 0.0 111.567 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.93 -86.71 0.51 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.21 24.81 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.184 1.394 . . . . 0.0 112.017 -171.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.97 135.73 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 119.017 0.826 . . . . 0.0 111.31 -167.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.66 89.17 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.381 1.872 . . . . 0.0 108.115 165.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 p -64.18 -17.0 63.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.825 0.85 . . . . 0.0 111.104 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 4.61 49.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.372 1.869 . . . . 0.0 113.318 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -116.14 158.57 23.02 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.104 1.32 . . . . 0.0 109.099 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -28.02 26.24 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -51.31 -44.29 61.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.761 0.825 . . . . 0.0 111.473 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.18 -49.35 77.34 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.45 -0.781 . . . . 0.0 111.186 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.06 75.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.374 0.67 . . . . 0.0 112.498 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -52.58 -27.69 17.85 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 127.068 2.147 . . . . 0.0 111.349 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -54.22 4.48 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.7 -48.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.999 0.904 . . . . 0.0 111.53 -169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -27.02 68.69 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.309 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.48 -16.63 32.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.375 0.67 . . . . 0.0 110.815 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.98 -52.94 23.59 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.012 1.325 . . . . 0.0 110.027 170.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.78 -37.8 88.74 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.059 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.06 -3.83 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.886 1.274 . . . . 0.0 111.935 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -74.47 -58.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 125.642 1.577 . . . . 0.0 109.194 167.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.8 mt -71.04 -38.72 72.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.301 -0.874 . . . . 0.0 109.539 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.8 10.42 4.14 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.04 1.736 . . . . 0.0 110.851 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.89 170.05 10.42 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.489 1.138 . . . . 0.0 112.82 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -62.26 -57.44 11.39 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 127.359 2.264 . . . . 0.0 112.241 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -147.49 166.93 25.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -50.61 -52.03 43.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.835 1.254 . . . . 0.0 112.673 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 t -63.11 -42.05 99.49 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -172.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.62 -25.36 41.45 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 122.235 -0.29 . . . . 0.0 110.729 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.34 -70.3 0.15 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -18.74 61.51 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.015 -165.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.82 -53.95 10.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.322 1.449 . . . . 0.0 111.386 171.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -75.68 -14.88 60.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.404 -0.81 . . . . 0.0 112.68 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -75.4 -48.02 24.79 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 120.429 -1.42 . . . . 0.0 110.501 171.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 m -77.5 -13.28 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -74.34 -49.72 21.7 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 165.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.69 -26.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -164.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -26.21 55.84 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.172 -1.58 . . . . 0.0 110.586 177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -91.1 -30.12 16.91 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.257 1.823 . . . . 0.0 109.8 -169.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.97 -1.26 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 121.701 0.762 . . . . 0.0 111.147 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -132.64 -57.59 0.94 Allowed 'General case' 0 CA--C 1.5 -0.947 0 C-N-CA 126.693 1.997 . . . . 0.0 110.334 -163.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.32 -29.23 63.78 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.064 0.847 . . . . 0.0 110.068 174.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -66.02 -43.08 88.67 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.045 0.841 . . . . 0.0 109.009 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -18.46 40.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.559 1.143 . . . . 0.0 113.086 -174.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -138.23 -23.33 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.462 2.393 . . . . 0.0 117.462 -166.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.56 60.79 8.36 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 119.851 1.205 . . . . 0.0 112.822 -170.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.06 -179.78 7.51 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.891 0.876 . . . . 0.0 110.813 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.67 -51.61 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 123.743 0.817 . . . . 0.0 111.383 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -74.21 13.13 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.437 1.495 . . . . 0.0 113.874 -164.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.75 -25.17 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 120.253 -1.53 . . . . 0.0 112.302 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -22.27 54.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 117.183 -1.389 . . . . 0.0 111.115 178.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.05 -52.2 60.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 121.206 1.821 . . . . 0.0 110.357 -167.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -59.14 -35.11 72.92 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.665 0.386 . . . . 0.0 111.361 172.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.38 1.12 10.3 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.438 1.095 . . . . 0.0 113.151 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -117.46 8.69 13.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.585 0.754 . . . . 0.0 110.019 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -104.5 -65.84 1.0 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.421 1.488 . . . . 0.0 108.899 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -69.48 -16.23 63.42 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.745 0.818 . . . . 0.0 112.29 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -53.54 16.31 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.52 -39.81 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.898 0.856 . . . . 0.0 110.727 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -69.3 -23.69 63.85 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.072 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 ptt85 -74.87 -32.9 62.0 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 122.018 2.19 . . . . 0.0 110.289 168.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 -26.24 60.73 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.633 0.773 . . . . 0.0 111.485 -167.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.504 0.593 . . . . 0.0 110.862 178.737 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 122.311 1.053 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 18.06 14.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.131 0.973 . . . . 0.0 113.376 -168.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.0 m 59.36 148.73 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.963 2.905 . . . . 0.0 113.032 -175.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 p -138.18 -84.81 0.29 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.632 -0.668 . . . . 0.0 110.135 -156.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -113.48 134.03 54.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 129.305 3.042 . . . . 0.0 106.359 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.6 -17.24 21.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-O 116.787 -1.578 . . . . 0.0 113.418 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -44.74 -51.01 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 124.396 1.079 . . . . 0.0 108.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -47.91 18.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.789 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.83 -32.62 67.78 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.788 0.722 . . . . 0.0 112.531 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -59.41 -39.24 82.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.378 1.471 . . . . 0.0 110.208 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.97 -33.66 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 119.731 1.15 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.4 -50.72 11.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.332 -0.855 . . . . 0.0 109.861 -174.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.23 -19.01 63.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.721 1.208 . . . . 0.0 112.421 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.94 -2.23 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 128.083 2.553 . . . . 0.0 111.662 166.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD11 ' NE2' ' A' ' 65' ' ' GLN 0.256 0.0 OUTLIER -125.56 -85.1 0.63 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 111.607 152.676 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -22.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.171 1.388 . . . . 0.0 112.911 -176.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG2' ' H ' ' A' ' 25' ' ' GLU 0.338 3.1 p 43.88 -174.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 130.326 3.45 . . . . 0.0 113.669 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 34.4 mt-10 -126.39 105.97 9.16 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 127.705 2.402 . . . . 0.0 108.079 167.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -53.34 -50.2 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.57 1.148 . . . . 0.0 109.088 164.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 m -73.68 69.89 1.33 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.836 1.654 . . . . 0.0 109.777 170.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 t -159.17 169.06 25.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 164.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -32.1 68.78 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.0 155.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.85 -58.5 7.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.728 0.694 . . . . 0.0 112.08 -167.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -50.7 -38.2 45.64 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.146 0.885 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.47 56.03 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 118.207 -0.901 . . . . 0.0 112.253 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -45.7 -34.71 3.71 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.899 1.68 . . . . 0.0 111.739 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -59.56 2.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.16 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.51 -40.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 124.099 0.96 . . . . 0.0 112.952 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.413 HE21 ' CA ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.26 -32.79 74.28 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.166 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' CA ' HE21 ' A' ' 36' ' ' GLN . 3.0 tt -91.68 -30.92 16.04 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.967 -0.458 . . . . 0.0 110.416 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -51.41 -50.95 58.66 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.854 1.262 . . . . 0.0 109.553 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -73.41 -32.41 64.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.142 -1.409 . . . . 0.0 112.432 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.33 -19.98 50.83 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.406 1.457 . . . . 0.0 111.326 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.05 -63.6 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 120.1 1.318 . . . . 0.0 108.544 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.27 -19.46 64.71 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.914 -0.491 . . . . 0.0 110.533 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.35 19.04 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.254 2.222 . . . . 0.0 110.228 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.94 178.76 1.67 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.93 1.348 . . . . 0.0 111.381 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -77.75 -50.83 11.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.526 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.74 170.72 18.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.137 1.375 . . . . 0.0 108.302 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -52.72 -52.66 55.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.423 1.489 . . . . 0.0 111.558 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -62.16 -43.9 97.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -172.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.46 -29.98 65.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.852 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -60.72 3.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.198 0.599 . . . . 0.0 109.715 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.44 -23.92 58.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.034 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.52 -42.94 64.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.746 0.703 . . . . 0.0 110.39 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -45.91 92.13 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 121.286 -0.884 . . . . 0.0 112.004 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.97 -34.49 77.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.799 0.727 . . . . 0.0 111.035 -172.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.55 -22.72 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.5 m -89.9 23.65 2.68 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.071 -1.643 . . . . 0.0 112.831 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.16 -54.86 1.28 Allowed 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.685 -1.259 . . . . 0.0 109.747 -177.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 8.25 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.789 2.436 . . . . 0.0 115.121 -170.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -121.25 -28.16 4.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 127.748 2.419 . . . . 0.0 111.468 177.707 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.09 -56.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 CA-C-N 119.667 1.121 . . . . 0.0 108.656 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.05 -43.0 99.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.193 1.397 . . . . 0.0 108.107 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.84 -36.69 85.16 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.275 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -71.69 -1.22 13.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 123.958 0.786 . . . . 0.0 111.961 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -12.66 12.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.246 1.385 . . . . 0.0 112.609 171.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' NE2' HD11 ' A' ' 22' ' ' LEU . 9.2 pt20 -149.66 -24.01 0.27 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 -166.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.98 55.53 25.47 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.767 1.621 . . . . 0.0 111.724 -170.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.76 168.58 12.83 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.174 1.389 . . . . 0.0 109.504 171.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.5 -45.55 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -163.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.14 19.0 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.715 1.606 . . . . 0.0 113.145 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.89 -30.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 120.5 -1.375 . . . . 0.0 113.011 -162.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.29 -18.68 45.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.631 1.573 . . . . 0.0 111.418 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -63.21 -53.12 58.12 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.66 1.118 . . . . 0.0 109.405 -171.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -31.63 65.06 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 118.587 -0.721 . . . . 0.0 112.824 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.67 -51.7 68.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.033 0.833 . . . . 0.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.99 -6.45 47.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.974 0.51 . . . . 0.0 111.925 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.31 -73.36 0.36 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 166.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -59.7 -34.61 73.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -170.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.63 -29.23 69.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.422 1.01 . . . . 0.0 111.618 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.77 -36.93 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.346 0.593 . . . . 0.0 110.229 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.21 -24.7 67.77 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.894 0.878 . . . . 0.0 112.447 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -43.98 16.96 Favored 'General case' 0 CA--C 1.523 -0.076 0 CA-C-N 119.079 0.854 . . . . 0.0 110.881 167.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.73 70.29 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.464 -0.772 . . . . 0.0 112.716 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 124.559 1.143 . . . . 0.0 111.09 175.02 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.442 -0.846 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.45 23.76 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.9 m 58.54 149.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.394 2.278 . . . . 0.0 112.814 -167.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -165.58 156.86 14.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.833 1.653 . . . . 0.0 106.936 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t 49.62 174.55 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.313 2.245 . . . . 0.0 110.543 -166.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.94 -12.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 O-C-N 120.037 -1.665 . . . . 0.0 109.969 165.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -55.45 -34.11 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.203 1.001 . . . . 0.0 109.35 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 -42.85 12.25 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 172.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.1 -34.63 78.5 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 112.275 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -23.28 65.02 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.545 -0.722 . . . . 0.0 112.069 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.97 -27.84 40.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 C-N-CA 124.252 1.021 . . . . 0.0 109.684 167.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.13 -48.89 7.69 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.869 -1.769 . . . . 0.0 110.116 -169.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.41 -21.12 66.1 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.346 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -71.2 -24.74 62.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.12 1.327 . . . . 0.0 111.638 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -117.84 8.34 12.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.146 1.339 . . . . 0.0 113.614 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 71.72 42.92 0.61 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.901 2.08 . . . . 0.0 109.724 160.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -47.66 148.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.929 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.06 82.53 0.97 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 p -62.65 -10.83 13.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.861 1.664 . . . . 0.0 112.181 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 m -114.45 14.3 17.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.538 2.335 . . . . 0.0 111.671 -173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.18 174.67 10.27 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.311 1.444 . . . . 0.0 109.944 -165.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.94 62.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.676 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -46.3 88.22 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 119.607 -0.837 . . . . 0.0 113.204 -166.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -55.11 -33.57 62.95 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.699 -0.626 . . . . 0.0 111.001 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.45 -22.02 30.48 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -54.48 -24.02 18.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 111.509 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.9 t -92.67 -63.02 1.28 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.255 1.022 . . . . 0.0 110.253 172.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.69 -32.04 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 117.882 -1.056 . . . . 0.0 112.352 -153.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -37.98 85.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.748 1.158 . . . . 0.0 109.774 171.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.88 -23.49 48.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.739 1.215 . . . . 0.0 111.621 -170.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.83 -50.77 72.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.819 1.248 . . . . 0.0 109.931 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -59.99 -41.86 92.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.94 0.876 . . . . 0.0 110.01 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.93 -9.43 54.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.356 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mm -73.3 -63.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.292 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.07 -25.37 68.34 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -168.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.33 -60.64 1.97 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.25 -153.81 0.03 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.157 0.983 . . . . 0.0 113.589 -173.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -132.81 -54.97 0.94 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.494 1.917 . . . . 0.0 106.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.31 168.11 12.45 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.243 1.817 . . . . 0.0 106.43 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -59.76 -50.84 72.24 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.054 -0.404 . . . . 0.0 110.812 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -57.79 -48.82 78.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.57 -0.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.149 1.379 . . . . 0.0 111.921 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.75 -74.84 0.18 Allowed 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.223 -1.548 . . . . 0.0 108.325 161.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -69.78 -22.91 63.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 121.876 -0.515 . . . . 0.0 111.945 -170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.39 -30.14 51.04 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.101 -0.999 . . . . 0.0 111.964 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.195 0.907 . . . . 0.0 111.326 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.7 ptp -66.79 -35.4 79.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.132 0.424 . . . . 0.0 111.078 -172.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.56 -14.87 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.37 0.668 . . . . 0.0 110.434 176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.1 m -107.81 22.33 16.12 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.125 1.77 . . . . 0.0 111.629 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -46.38 1.79 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.444 1.498 . . . . 0.0 107.391 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 8.57 2.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -165.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -123.61 -43.3 2.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.913 1.685 . . . . 0.0 110.318 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.33 -45.69 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 118.945 0.793 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -47.03 88.26 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 117.901 0.318 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.78 -32.77 67.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.261 0.624 . . . . 0.0 109.781 -174.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -75.34 3.69 8.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 123.338 0.655 . . . . 0.0 112.076 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -14.71 13.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 120.687 -1.258 . . . . 0.0 111.443 167.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.3 -23.87 0.17 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 119.654 3.205 . . . . 0.0 119.654 -159.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.53 64.26 4.14 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.617 1.553 . . . . 0.0 113.5 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.27 -169.33 2.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.829 -0.806 . . . . 0.0 112.166 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 70' ' ' ILE . 5.1 p -129.77 -51.12 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.541 0 C-N-CA 124.563 1.145 . . . . 0.0 111.09 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 14.18 1.95 Allowed 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.591 1.182 . . . . 0.0 108.224 -157.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' A' ' 68' ' ' VAL . 6.5 tp -60.75 -31.7 50.04 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 120.735 -1.228 . . . . 0.0 110.968 -170.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.15 -27.67 63.72 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.323 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.39 -49.73 70.42 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 118.725 0.693 . . . . 0.0 110.539 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -27.6 68.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.937 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.7 m -59.73 -51.48 69.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.873 0.761 . . . . 0.0 109.104 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -77.63 -6.72 54.77 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.707 0.803 . . . . 0.0 112.864 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -71.48 -69.87 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 156.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -69.11 -24.59 64.14 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -159.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -39.16 77.43 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 119.74 1.154 . . . . 0.0 111.413 173.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.52 -40.89 56.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.397 0.617 . . . . 0.0 109.729 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -65.97 -11.12 45.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.735 1.214 . . . . 0.0 112.858 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -34.27 8.84 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 120.096 1.316 . . . . 0.0 112.184 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.56 71.46 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.295 0.638 . . . . 0.0 112.073 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 125.718 1.607 . . . . 0.0 111.535 174.67 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.71 1.2 20.98 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 125.2 1.4 . . . . 0.0 112.119 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.08 16.84 5.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.185 1.394 . . . . 0.0 113.205 173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 12' ' ' SER 0.301 4.3 t 43.71 -86.52 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.87 3.268 . . . . 0.0 114.08 155.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.469 ' H ' HG22 ' A' ' 11' ' ' THR . 67.8 m -139.0 143.94 38.69 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 129.506 3.123 . . . . 0.0 107.505 -164.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.741 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.08 -34.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 119.635 1.107 . . . . 0.0 111.667 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -55.17 8.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 119.94 -1.725 . . . . 0.0 107.051 175.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.73 -37.13 85.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 112.61 -2.086 . . . . 0.0 111.696 -160.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -54.54 -39.31 67.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 128.735 2.814 . . . . 0.0 111.555 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.18 -31.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 125.819 1.648 . . . . 0.0 111.29 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.39 -48.23 11.38 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.552 -0.718 . . . . 0.0 109.435 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -66.1 -16.64 64.12 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.983 0.913 . . . . 0.0 111.998 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -15.59 31.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 120.05 1.295 . . . . 0.0 112.05 174.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 HE21 ' A' ' 65' ' ' GLN . 0.7 OUTLIER -116.29 -85.94 0.62 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.927 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.6 18.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.953 0.901 . . . . 0.0 113.323 -163.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.0 p -52.58 162.63 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.789 -1.194 . . . . 0.0 111.595 -172.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 27' ' ' SER . 28.1 mt-10 -121.91 116.94 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.319 1.047 . . . . 0.0 111.557 -173.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -69.47 30.6 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.068 1.747 . . . . 0.0 112.637 164.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 25' ' ' GLU . 6.8 t -140.4 10.39 2.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.413 1.885 . . . . 0.0 110.84 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -134.09 145.16 49.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.989 -1.07 . . . . 0.0 108.654 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.64 -29.96 4.92 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.49 -51.16 63.67 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.051 1.34 . . . . 0.0 111.47 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -49.74 -50.04 45.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.016 0.826 . . . . 0.0 110.912 176.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.92 76.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.84 -39.22 11.58 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.437 1.495 . . . . 0.0 110.248 -177.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.2 -49.59 16.76 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.444 0.465 . . . . 0.0 110.773 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.21 -50.41 68.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 124.339 1.055 . . . . 0.0 111.5 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -43.46 98.84 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.79 -32.84 74.61 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.725 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -56.73 -51.96 66.83 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.425 1.011 . . . . 0.0 111.065 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -68.17 -32.45 72.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.464 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.77 -7.37 26.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.577 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.19 -63.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 121.369 1.895 . . . . 0.0 107.423 166.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.45 -22.04 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.43 0.692 . . . . 0.0 110.61 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.8 17.21 23.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.41 1.884 . . . . 0.0 110.83 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.04 -176.81 1.2 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.593 1.187 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -71.06 -51.17 26.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.529 1.932 . . . . 0.0 112.253 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.38 173.04 12.63 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 129.177 2.991 . . . . 0.0 109.116 -166.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -55.39 -55.59 29.83 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.645 1.178 . . . . 0.0 112.344 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 t -68.89 -46.91 67.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -166.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.26 3.88 16.68 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.181 0.515 . . . . 0.0 110.872 -174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.63 1.37 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 164.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -69.78 -27.06 64.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.89 -0.506 . . . . 0.0 111.795 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.98 -9.38 21.17 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.954 -1.092 . . . . 0.0 113.267 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -78.48 -40.21 36.12 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.832 1.196 . . . . 0.0 112.669 163.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.5 ptp -69.27 -38.51 78.41 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.717 -1.24 . . . . 0.0 110.711 -170.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.71 -16.51 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 126.809 2.044 . . . . 0.0 114.401 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -85.44 -48.96 8.49 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 126.015 1.726 . . . . 0.0 109.406 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 1.4 pp -62.39 -43.89 97.76 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.284 0.947 . . . . 0.0 112.157 -176.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -12.48 8.67 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -172.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -98.45 -50.45 4.3 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 125.493 1.517 . . . . 0.0 108.188 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 p -57.94 -41.23 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.636 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -58.21 8.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 119.041 0.837 . . . . 0.0 109.656 176.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.1 -21.3 66.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.932 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -80.57 -1.56 42.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.174 0.99 . . . . 0.0 112.168 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -9.43 8.58 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 120.161 1.346 . . . . 0.0 112.934 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.428 HE21 HD21 ' A' ' 22' ' ' LEU . 8.9 pt20 -150.93 -30.56 0.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -173.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.07 63.52 3.94 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 118.48 0.582 . . . . 0.0 112.134 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.95 19.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.508 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.6 m -104.09 -59.01 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.841 0.746 . . . . 0.0 112.356 173.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -74.02 23.91 0.08 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.883 2.073 . . . . 0.0 114.149 -167.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.42 -26.77 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 120.542 -1.349 . . . . 0.0 112.097 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -5.75 58.79 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.712 0.805 . . . . 0.0 112.525 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -75.25 -59.37 2.77 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 119.901 1.228 . . . . 0.0 109.155 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -21.73 4.35 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.448 1.099 . . . . 0.0 113.651 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.37 -47.49 81.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.773 0.715 . . . . 0.0 109.855 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -67.37 -27.08 66.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.77 0.713 . . . . 0.0 110.63 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -63.7 -85.2 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.972 0.805 . . . . 0.0 109.304 160.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -62.39 -32.24 73.02 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.041 -1.662 . . . . 0.0 114.067 -159.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -48.89 52.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.34 -31.84 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.607 -0.683 . . . . 0.0 110.372 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -18.8 63.98 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.261 -0.899 . . . . 0.0 112.931 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -88.63 -37.13 15.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 119.624 1.102 . . . . 0.0 111.16 164.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -21.83 65.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.333 1.053 . . . . 0.0 113.382 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.18 0.992 . . . . 0.0 110.557 178.741 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.438 -1.027 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -0.16 35.81 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 175.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 1.6 p 61.96 175.45 0.13 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.655 2.782 . . . . 0.0 112.372 -173.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -163.14 -53.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -154.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.53 95.43 4.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -154.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.66 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.936 -166.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.9 -51.2 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 124.375 1.047 . . . . 0.0 108.379 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -41.99 76.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.909 2.484 . . . . 0.0 111.895 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -47.98 67.21 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.842 0.857 . . . . 0.0 110.849 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -39.63 56.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.815 1.646 . . . . 0.0 111.782 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 t -53.82 -38.96 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 119.569 1.077 . . . . 0.0 112.28 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.4 mt -85.64 -43.67 13.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.94 -28.75 67.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.687 1.195 . . . . 0.0 111.035 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -27.9 43.03 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 119.349 0.977 . . . . 0.0 111.75 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' CD2' HE21 ' A' ' 65' ' ' GLN . 0.9 OUTLIER -103.11 -81.66 0.5 Allowed 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.85 6.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -165.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -45.35 135.71 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 124.587 1.155 . . . . 0.0 112.13 -164.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -93.15 115.21 27.85 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 p -55.47 -33.64 63.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.577 0.751 . . . . 0.0 110.27 164.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -58.51 -7.47 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.44 2.296 . . . . 0.0 114.175 171.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.9 t -118.22 147.06 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.446 1.475 . . . . 0.0 108.351 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -26.54 5.04 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.013 168.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.69 -45.31 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.274 1.03 . . . . 0.0 111.179 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -51.37 -56.0 15.5 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.33 73.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.261 1.024 . . . . 0.0 113.571 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.95 -43.94 60.34 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 125.596 1.558 . . . . 0.0 108.265 176.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -4.93 58.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.668 -172.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.24 -51.94 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -54.96 -40.81 70.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 177.195 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' HE21 ' A' ' 36' ' ' GLN . 6.4 tp -78.6 -11.24 59.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.608 1.163 . . . . 0.0 112.249 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -71.62 -45.61 61.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.42 -0.8 . . . . 0.0 109.047 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.86 -46.9 86.67 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -8.21 1.8 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.858 1.663 . . . . 0.0 114.052 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.32 -49.37 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.669 1.122 . . . . 0.0 108.842 168.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.8 -31.87 72.78 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.763 1.625 . . . . 0.0 109.792 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -99.35 13.31 33.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.972 1.309 . . . . 0.0 111.265 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 156.52 38.87 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.678 0.391 . . . . 0.0 110.792 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -61.09 -46.1 92.04 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 123.966 0.906 . . . . 0.0 112.068 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -143.54 -176.25 4.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 109.033 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -64.53 -55.72 18.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.31 1.444 . . . . 0.0 112.087 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t -55.49 -47.97 75.33 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.25 -17.98 64.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.622 1.569 . . . . 0.0 112.625 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.53 -72.2 0.19 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.328 0.967 . . . . 0.0 109.557 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -67.6 -20.84 65.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.264 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 -21.7 2.09 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -103.63 -27.61 12.21 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 119.399 1.0 . . . . 0.0 113.208 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ptp -64.0 -40.86 97.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.222 1.374 . . . . 0.0 109.945 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.61 -6.52 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 125.163 1.385 . . . . 0.0 110.829 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -109.14 8.73 26.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.543 1.137 . . . . 0.0 114.063 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -39.28 3.19 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.747 1.612 . . . . 0.0 109.02 176.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 5.31 0.38 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 127.418 2.287 . . . . 0.0 115.655 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.79 -3.87 4.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 112.521 172.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.16 -42.99 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 120.379 1.445 . . . . 0.0 107.353 159.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.7 -52.71 63.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.97 -13.53 62.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -168.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -94.51 -2.09 52.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.443 1.097 . . . . 0.0 110.775 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.28 -35.53 6.26 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.631 1.172 . . . . 0.0 110.871 169.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.42 HE21 ' CD2' ' A' ' 22' ' ' LEU . 8.7 pt20 -133.6 -18.18 2.2 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 117.33 2.345 . . . . 0.0 117.33 -167.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.83 56.15 26.71 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.691 1.132 . . . . 0.0 114.843 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 177.12 3.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.047 0.939 . . . . 0.0 112.802 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 70' ' ' ILE . 1.6 p -123.49 -47.21 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.956 0 C-N-CA 126.01 1.724 . . . . 0.0 111.406 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.31 21.1 1.48 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.029 -159.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' H ' ' C ' ' A' ' 68' ' ' VAL . 8.8 mm -46.41 -48.62 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.786 164.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.49 -14.53 62.56 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.172 -166.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -70.91 0.22 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.124 0.969 . . . . 0.0 108.937 174.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -32.83 13.25 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.46 1.104 . . . . 0.0 113.087 -176.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -54.89 -56.98 13.56 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.735 1.214 . . . . 0.0 108.982 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.23 -11.3 59.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.995 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -88.1 -62.79 1.41 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.35 1.432 . . . . 0.0 108.268 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -66.96 -22.68 65.92 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.2 -1.562 . . . . 0.0 113.32 -173.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.62 -23.98 45.59 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.722 0.692 . . . . 0.0 112.041 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -36.01 12.25 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 118.425 0.557 . . . . 0.0 110.539 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.62 -26.39 21.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.238 1.415 . . . . 0.0 111.367 173.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -37.93 11.33 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.733 0.697 . . . . 0.0 112.068 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.75 66.84 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.193 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 124.426 1.09 . . . . 0.0 110.223 -179.658 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 122.542 1.163 . . . . 0.0 108.713 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -3.93 20.42 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 113.856 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 m 45.72 69.51 0.45 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 125.633 1.833 . . . . 0.0 108.615 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -103.66 152.62 21.57 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.662 2.385 . . . . 0.0 105.861 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 t 52.2 -172.36 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 124.138 1.923 . . . . 0.0 109.365 -153.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.97 -12.2 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 C-N-CA 127.965 2.506 . . . . 0.0 108.067 169.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.72 -27.88 41.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.367 0.531 . . . . 0.0 110.735 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -61.8 1.77 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 168.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -42.32 73.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -164.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -53.24 -40.13 64.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.495 1.118 . . . . 0.0 111.152 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.09 -22.63 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.225 1.01 . . . . 0.0 111.363 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.52 -38.62 12.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 121.146 1.794 . . . . 0.0 110.214 175.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.13 -28.31 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.154 1.781 . . . . 0.0 111.51 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.86 -23.77 54.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.734 2.014 . . . . 0.0 109.757 171.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -132.33 11.72 4.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 114.703 -170.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.85 46.11 5.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.65 1.691 . . . . 0.0 111.202 161.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -44.05 161.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 111.103 -2.771 . . . . 0.0 111.216 162.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.28 104.2 11.84 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -168.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -57.91 -23.5 53.58 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 m -83.85 8.6 14.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.67 1.588 . . . . 0.0 112.959 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -124.1 153.17 41.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.646 1.566 . . . . 0.0 110.586 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -29.3 10.69 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.352 172.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.6 -45.43 70.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.224 1.009 . . . . 0.0 111.641 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -66.0 -24.26 66.74 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.946 -1.096 . . . . 0.0 112.49 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.69 -35.75 24.26 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.058 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -49.7 -24.04 2.08 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.394 2.277 . . . . 0.0 113.825 -171.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -54.09 2.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.761 0.663 . . . . 0.0 111.192 172.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.54 -44.18 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.961 0.904 . . . . 0.0 112.51 -175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -28.86 27.39 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -27.15 61.89 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.785 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -54.72 -60.98 2.62 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.498 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -63.04 -32.78 74.23 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.069 0.849 . . . . 0.0 110.973 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -11.83 19.83 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.67 -46.73 30.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 121.963 2.165 . . . . 0.0 106.127 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -72.35 -23.07 61.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.247 1.819 . . . . 0.0 110.574 -176.437 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.28 11.33 36.88 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 110.298 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 166.67 22.36 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.025 -1.047 . . . . 0.0 111.372 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -81.52 -51.88 7.81 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.875 1.27 . . . . 0.0 111.441 -174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.16 -176.59 2.94 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.717 1.607 . . . . 0.0 108.082 -169.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -73.71 -61.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.603 -0.685 . . . . 0.0 109.189 165.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 6.8 t -56.72 -43.32 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.178 0.514 . . . . 0.0 110.38 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.08 -15.66 63.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.225 1.01 . . . . 0.0 111.751 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.76 -58.3 3.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.883 0.873 . . . . 0.0 110.101 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 48' ' ' THR . 13.2 p90 -68.22 -29.48 68.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.364 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.58 -24.05 2.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.459 1.504 . . . . 0.0 114.064 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -28.5 13.79 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 111.626 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 ptp -70.28 -35.66 73.88 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.016 -1.677 . . . . 0.0 111.679 172.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.0 m -69.28 -3.73 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 120.665 -1.272 . . . . 0.0 113.668 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -115.87 12.99 15.96 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 131.282 3.833 . . . . 0.0 112.786 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 pp -121.97 -37.51 2.84 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.729 1.212 . . . . 0.0 111.581 169.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.14 -31.61 70.25 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 118.945 0.793 . . . . 0.0 111.773 -172.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -69.38 -43.05 74.32 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.03 -37.68 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 128.947 2.899 . . . . 0.0 111.38 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 21.3 mt -70.59 -63.5 1.08 Allowed 'General case' 0 CA--C 1.485 -1.539 0 C-N-CA 127.454 2.302 . . . . 0.0 106.176 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.33 -24.99 21.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.799 1.181 . . . . 0.0 111.537 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -77.3 -0.86 27.04 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -22.71 4.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.684 2.393 . . . . 0.0 111.98 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 17.4 pt20 -148.25 -15.34 0.34 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -161.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.61 65.9 3.19 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 120.99 1.723 . . . . 0.0 114.149 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.61 149.03 22.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.65 1.18 . . . . 0.0 110.994 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.69 -50.09 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 112.49 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.99 22.45 1.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.563 1.545 . . . . 0.0 112.04 -163.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -73.09 -11.65 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 O-C-N 120.987 -1.071 . . . . 0.0 112.373 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.2 -5.68 46.47 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.99 0.916 . . . . 0.0 112.25 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -56.89 5.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.572 1.533 . . . . 0.0 109.507 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -51.71 -33.97 36.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 117.884 -1.055 . . . . 0.0 111.918 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.05 -55.6 29.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.367 0.985 . . . . 0.0 110.422 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -73.19 -4.53 33.52 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.031 0.932 . . . . 0.0 111.633 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -96.27 -60.66 1.57 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.227 1.011 . . . . 0.0 109.313 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -64.84 -31.09 72.16 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.723 -1.236 . . . . 0.0 112.655 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.03 -19.61 65.72 Favored 'General case' 0 C--O 1.226 -0.155 0 O-C-N 121.33 -0.856 . . . . 0.0 111.66 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -31.01 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.818 1.247 . . . . 0.0 110.856 -175.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.06 -29.42 69.72 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.705 0.802 . . . . 0.0 110.578 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 -40.39 26.89 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.746 0.703 . . . . 0.0 111.631 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 126.16 1.784 . . . . 0.0 113.443 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.326 -0.417 0 C-N-CA 123.886 0.874 . . . . 0.0 110.467 -170.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 40.37 3.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.84 -1.162 . . . . 0.0 113.737 -167.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.27 0.6 OUTLIER 67.34 102.15 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.385 1.874 . . . . 0.0 112.844 169.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -83.96 -70.32 0.58 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.604 1.562 . . . . 0.0 109.327 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -139.32 128.5 23.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.654 2.382 . . . . 0.0 106.757 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.4 -21.26 20.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.229 -172.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 t -47.05 -38.44 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 127.048 2.139 . . . . 0.0 111.648 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.34 -50.49 6.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 118.35 0.523 . . . . 0.0 110.291 175.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.95 -44.13 74.05 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 111.169 -171.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.97 -31.38 71.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 117.849 -1.072 . . . . 0.0 112.367 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.13 -37.96 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 119.63 1.104 . . . . 0.0 109.651 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -51.87 10.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -71.24 -16.15 62.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.273 1.429 . . . . 0.0 112.369 -172.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.35 -23.89 62.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.77 1.628 . . . . 0.0 110.78 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.56 -87.22 0.62 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.917 -160.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.92 32.22 0.0 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.301 1.441 . . . . 0.0 112.24 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.27 155.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.691 1.234 . . . . 0.0 111.446 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -106.21 104.3 13.97 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -50.79 13.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.187 0.995 . . . . 0.0 109.024 162.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 60.48 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.649 2.38 . . . . 0.0 112.024 171.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -161.18 167.22 26.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.42 -1.425 . . . . 0.0 109.096 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -26.37 68.41 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 121.67 -0.644 . . . . 0.0 110.796 162.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.92 -55.33 35.9 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.686 -171.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -49.91 -36.96 29.52 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.936 0.789 . . . . 0.0 111.841 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.34 50.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.075 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -49.98 -36.75 29.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.386 1.075 . . . . 0.0 110.59 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -53.29 7.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.583 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -77.15 -4.09 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.75 -32.17 11.52 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 168.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -88.63 -29.8 19.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.507 -166.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.16 -48.4 70.93 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 118.939 0.79 . . . . 0.0 110.936 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -62.06 -39.5 92.58 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 123.414 0.685 . . . . 0.0 109.639 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.448 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 82.3 m-20 -66.56 -4.36 8.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.213 -173.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.9 mm -78.52 -46.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.489 ' H ' HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -73.15 -28.87 62.48 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.673 1.589 . . . . 0.0 110.099 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 15.98 20.42 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.624 1.57 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -178.25 2.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 122.108 0.956 . . . . 0.0 109.962 171.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -76.37 -57.46 3.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.798 -0.564 . . . . 0.0 110.821 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.95 173.38 11.69 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -161.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.4 m -56.76 -56.85 16.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.325 1.05 . . . . 0.0 109.984 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 t -60.36 -54.51 44.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.02 -18.0 63.9 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.711 1.204 . . . . 0.0 111.415 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.91 -61.81 1.7 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.911 0.778 . . . . 0.0 110.038 174.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -72.74 -24.12 60.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.508 -0.745 . . . . 0.0 110.591 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.44 -12.91 6.91 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -99.79 -25.72 14.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.52 -1.228 . . . . 0.0 114.108 168.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -68.61 -36.87 79.24 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.722 2.055 . . . . 0.0 111.305 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.28 -30.63 44.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 124.131 0.972 . . . . 0.0 111.002 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.4 m -86.84 7.9 25.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.359 1.864 . . . . 0.0 111.71 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -45.39 3.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.656 1.982 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.56 6.43 0.32 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.778 2.031 . . . . 0.0 114.21 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -126.1 -7.93 6.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.319 1.848 . . . . 0.0 111.56 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.63 -59.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -39.3 70.45 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -167.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.29 -36.83 71.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 109.901 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -72.92 18.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.342 1.457 . . . . 0.0 111.337 175.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.67 0.76 1.28 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 119.996 -1.69 . . . . 0.0 113.388 169.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -151.96 -27.66 0.18 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.318 -166.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.06 57.44 14.78 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 120.9 1.682 . . . . 0.0 111.848 -174.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.4 151.24 38.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 121.939 -0.741 . . . . 0.0 110.327 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -84.13 -49.59 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 123.356 0.41 . . . . 0.0 109.988 167.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.48 19.11 0.64 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -159.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.59 -30.56 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 O-C-N 120.577 -1.327 . . . . 0.0 112.141 -172.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -20.77 60.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.388 177.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.66 -53.05 57.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.187 1.358 . . . . 0.0 110.196 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -30.57 71.7 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.979 177.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.9 m -62.78 -43.98 97.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.705 0.684 . . . . 0.0 110.571 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.11 -13.43 60.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.637 0.653 . . . . 0.0 112.653 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.22 -72.05 0.32 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 163.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -64.8 -35.61 81.64 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -165.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -38.38 89.91 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.995 1.27 . . . . 0.0 108.588 176.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -34.95 59.67 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.257 0.551 . . . . 0.0 111.957 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.34 -29.11 61.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.32 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -25.96 67.61 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 120.781 -1.2 . . . . 0.0 111.4 168.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -0.58 56.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.603 2.361 . . . . 0.0 114.061 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 120.179 1.354 . . . . 0.0 111.186 174.663 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 124.201 1.953 . . . . 0.0 115.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 10.82 0.82 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 -165.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.313 26.3 p 45.71 65.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 126.234 1.813 . . . . 0.0 113.762 166.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.529 HG21 ' H ' ' A' ' 12' ' ' SER 0.272 9.7 t -123.26 -79.92 0.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.993 -158.046 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.529 ' H ' HG21 ' A' ' 11' ' ' THR . 4.5 m -48.36 106.03 0.09 Allowed 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.212 2.605 . . . . 0.0 109.154 171.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.92 -23.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 120.242 1.383 . . . . 0.0 112.876 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.09 -35.88 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 122.883 0.473 . . . . 0.0 110.555 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -19.82 33.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.505 1.048 . . . . 0.0 110.929 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mt -99.99 -39.83 7.95 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.588 1.955 . . . . 0.0 112.983 -167.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -46.05 79.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.922 1.689 . . . . 0.0 111.402 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.295 0.0 OUTLIER -44.81 -17.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 120.977 3.695 . . . . 0.0 120.977 160.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.6 -50.32 3.04 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -172.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.5 -18.23 65.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.09 0.956 . . . . 0.0 112.077 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -49.84 -33.04 15.68 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.699 1.2 . . . . 0.0 112.79 166.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 HD21 HE21 ' A' ' 65' ' ' GLN . 2.9 mm? -110.8 -85.66 0.55 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.188 -162.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.823 1.649 . . . . 0.0 111.383 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.22 148.51 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 122.163 0.982 . . . . 0.0 110.749 -169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -108.48 108.5 19.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 p -59.29 -19.73 48.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 122.914 0.486 . . . . 0.0 111.727 166.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -71.48 -3.48 21.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.282 1.433 . . . . 0.0 112.999 171.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -120.56 151.27 39.63 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.214 1.37 . . . . 0.0 108.387 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.62 15.13 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.16 -49.09 70.08 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.572 1.149 . . . . 0.0 111.647 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -51.67 -49.79 61.68 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.953 1.252 . . . . 0.0 110.897 173.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -35.83 76.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.061 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -52.06 -20.93 2.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.814 2.446 . . . . 0.0 112.645 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -86.11 -65.27 1.03 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.177 1.791 . . . . 0.0 111.06 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -63.64 -41.17 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 C-N-CA 123.555 0.742 . . . . 0.0 112.343 -170.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -24.43 66.37 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.567 0.747 . . . . 0.0 109.085 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tt -88.27 -32.16 18.64 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.79 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.12 -50.85 65.96 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.739 1.154 . . . . 0.0 111.89 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -64.15 -40.38 96.02 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.764 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.49 -16.88 10.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.377 0.99 . . . . 0.0 112.322 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.96 -58.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 120.03 1.286 . . . . 0.0 107.852 170.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.64 -25.32 67.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.017 0.927 . . . . 0.0 111.14 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.13 12.99 32.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.579 1.552 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 176.16 3.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.92 . . . . 0.0 113.357 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -63.48 -58.27 7.56 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.818 0.847 . . . . 0.0 110.389 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.47 179.23 7.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 126.842 2.057 . . . . 0.0 108.101 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 m -45.49 -60.01 2.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.967 3.307 . . . . 0.0 110.949 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.7 t -68.88 -41.01 78.91 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -64.47 -20.84 66.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.836 0.855 . . . . 0.0 110.753 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.5 -62.45 1.41 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -71.78 -21.68 61.69 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.718 -176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -23.94 5.65 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.752 1.221 . . . . 0.0 113.102 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -100.75 -29.45 12.27 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.337 0.655 . . . . 0.0 112.011 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 ptp -67.8 -37.21 81.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.377 1.444 . . . . 0.0 112.054 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.36 -24.33 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.279 0.632 . . . . 0.0 109.741 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m -79.08 -38.77 35.5 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 120.647 -1.283 . . . . 0.0 110.952 172.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -52.88 63.86 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.245 1.418 . . . . 0.0 108.947 -174.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -10.77 10.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -171.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -109.55 -19.92 13.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.462 1.105 . . . . 0.0 110.204 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.03 -48.94 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 120.637 1.562 . . . . 0.0 108.419 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.33 -49.42 22.96 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 121.654 -0.654 . . . . 0.0 110.492 -166.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.43 -34.35 75.25 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.454 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t -69.87 2.19 3.67 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.365 0.529 . . . . 0.0 111.937 173.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -22.31 5.11 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.693 1.133 . . . . 0.0 111.644 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.422 HE21 HD21 ' A' ' 22' ' ' LEU . 9.5 pt20 -147.95 -4.14 0.49 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 119.222 3.045 . . . . 0.0 119.222 -165.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.14 55.36 24.55 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 121.958 2.163 . . . . 0.0 114.396 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.84 165.76 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.696 1.198 . . . . 0.0 112.768 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -55.5 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -173.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.24 0.98 0.13 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.07 2.148 . . . . 0.0 115.695 -164.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -65.43 -28.9 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.113 1.365 . . . . 0.0 111.483 -167.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.41 0.02 57.4 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.303 1.041 . . . . 0.0 112.362 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -70.92 -58.18 3.85 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 120.304 1.411 . . . . 0.0 107.433 163.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -31.99 71.81 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.999 -167.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.41 ' HG ' ' HG2' ' A' ' 75' ' ' GLU . 27.3 p -54.49 -60.07 3.85 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.344 1.429 . . . . 0.0 109.916 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HG2' ' HG ' ' A' ' 74' ' ' CYS . 3.2 mt-10 -70.15 -17.05 63.17 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.75 1.22 . . . . 0.0 111.031 -171.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -79.37 -64.23 1.23 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.431 1.492 . . . . 0.0 109.543 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -69.27 -31.65 70.31 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.962 -1.086 . . . . 0.0 112.676 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.07 -29.78 71.08 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.417 0.687 . . . . 0.0 111.162 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.71 -26.92 18.38 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.015 -0.428 . . . . 0.0 111.236 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.33 -27.01 68.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.763 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -76.04 -40.98 52.21 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.182 1.356 . . . . 0.0 110.85 167.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.88 62.06 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.633 1.573 . . . . 0.0 113.671 -168.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.552 1.041 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.181 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.33 88.69 2.79 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.625 -0.672 . . . . 0.0 110.416 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -60.26 117.15 4.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.9 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.447 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.302 5.9 t -125.0 -87.07 0.62 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.447 ' H ' ' CG2' ' A' ' 11' ' ' THR . 53.0 m -70.39 119.54 14.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.709 1.204 . . . . 0.0 109.225 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.57 -17.63 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.275 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -45.89 -43.26 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.181 1.792 . . . . 0.0 111.008 174.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -28.59 16.07 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 118.461 -0.781 . . . . 0.0 112.674 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.71 -41.44 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 120.068 1.303 . . . . 0.0 111.72 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.1 t -63.37 -38.69 92.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.475 1.11 . . . . 0.0 108.43 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.41 -15.92 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 121.172 -0.955 . . . . 0.0 113.304 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.29 -42.73 6.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.884 0.874 . . . . 0.0 109.032 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -64.7 -17.76 64.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.991 1.717 . . . . 0.0 111.421 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.452 HE22 ' CG2' ' A' ' 68' ' ' VAL . 10.0 mt-30 -59.03 -42.74 90.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 109.82 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -94.67 -86.29 0.29 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -168.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.46 41.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 123.057 1.408 . . . . 0.0 112.502 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 150.26 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 119.54 -1.975 . . . . 0.0 110.915 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -108.78 108.97 19.99 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.287 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -56.16 -46.56 79.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.08 1.752 . . . . 0.0 110.279 165.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -78.09 46.76 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 110.392 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -152.75 157.85 41.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -24.73 60.72 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.731 -0.605 . . . . 0.0 112.31 174.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -51.63 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.083 0.953 . . . . 0.0 111.932 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -60.72 -15.98 34.96 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.7 -29.19 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 117.043 -1.456 . . . . 0.0 113.223 170.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -51.88 -29.14 18.6 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.874 1.67 . . . . 0.0 112.47 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -58.69 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.16 -48.17 43.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -39.52 55.49 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.797 1.181 . . . . 0.0 110.374 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.6 -23.07 65.34 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.508 1.123 . . . . 0.0 110.514 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -56.87 -48.68 77.58 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 120.829 -1.169 . . . . 0.0 110.47 170.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -62.84 -42.46 99.75 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 118.199 0.454 . . . . 0.0 109.808 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -58.15 -19.12 30.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.936 1.294 . . . . 0.0 112.374 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mm -71.28 -44.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.12 -27.62 62.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.398 1.479 . . . . 0.0 111.449 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.86 -3.45 58.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.078 0.399 . . . . 0.0 110.413 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.53 158.87 35.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.716 0.769 . . . . 0.0 110.331 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -40.29 83.62 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.558 1.143 . . . . 0.0 111.543 -174.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.22 176.88 9.0 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.614 1.166 . . . . 0.0 108.046 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -55.44 -56.81 15.88 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 123.868 0.867 . . . . 0.0 111.952 170.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -55.75 -47.01 77.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -168.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -75.78 -25.99 56.92 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -61.2 2.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -79.27 -18.58 52.46 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.913 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.92 -48.83 51.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 119.348 0.977 . . . . 0.0 110.484 168.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -29.3 61.57 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.253 -0.904 . . . . 0.0 111.485 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 ptp -67.92 -42.2 81.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.296 1.407 . . . . 0.0 111.729 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.3 t -70.68 -6.46 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 120.912 -1.117 . . . . 0.0 110.35 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 m -93.58 1.5 56.67 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 116.821 -1.562 . . . . 0.0 113.824 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 pp -118.17 -30.86 5.18 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 122.773 2.533 . . . . 0.0 112.569 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 2.25 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.58 1.552 . . . . 0.0 114.099 -165.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -116.13 -29.45 6.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.725 1.61 . . . . 0.0 109.53 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.49 -51.91 52.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 124.423 1.089 . . . . 0.0 109.539 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -33.11 61.35 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -168.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.56 -40.14 78.24 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 122.847 0.459 . . . . 0.0 110.211 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -71.04 8.77 0.85 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.584 1.154 . . . . 0.0 111.702 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -3.27 4.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.641 166.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -152.79 -27.66 0.15 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -167.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.02 64.85 3.7 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 120.509 1.504 . . . . 0.0 113.195 -170.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.89 164.09 16.79 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.739 -0.859 . . . . 0.0 112.783 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.555 HG23 ' H ' ' A' ' 69' ' ' ASP . 1.3 m -97.03 -82.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' H ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -65.91 19.92 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 131.108 3.763 . . . . 0.0 113.053 -164.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.52 -27.5 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 O-C-N 120.09 -1.631 . . . . 0.0 111.381 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.79 -17.0 60.02 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 123.882 0.873 . . . . 0.0 112.94 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -66.03 -51.08 61.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 119.47 1.032 . . . . 0.0 109.889 -173.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -59.59 -26.66 65.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.488 177.254 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.9 m -64.18 -18.85 64.88 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.534 1.061 . . . . 0.0 112.337 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -112.31 19.61 17.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.952 2.101 . . . . 0.0 108.405 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.19 -67.42 0.92 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.288 1.435 . . . . 0.0 109.475 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -66.55 -25.16 66.52 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.701 -1.249 . . . . 0.0 112.27 -172.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.17 77.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.202 1.001 . . . . 0.0 110.781 170.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.88 -36.63 49.48 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 110.965 -177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -66.41 -16.86 64.41 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.588 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -32.09 14.22 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.074 0.852 . . . . 0.0 112.088 168.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.88 81.05 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.982 1.313 . . . . 0.0 113.167 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.534 0.364 0 C-N-CA 123.75 0.82 . . . . 0.0 110.558 -171.562 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -5.5 27.08 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 52.1 74.95 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 109.336 -172.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.313 0.0 OUTLIER -97.14 -87.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.476 0.71 . . . . 0.0 110.085 -171.134 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -67.86 127.89 34.47 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 123.798 0.839 . . . . 0.0 109.62 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.75 -15.54 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 121.403 -0.811 . . . . 0.0 112.539 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.33 -23.68 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 126.857 2.063 . . . . 0.0 112.004 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -48.45 4.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.844 1.257 . . . . 0.0 109.496 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' HG ' ' A' ' 10' ' ' CYS . 3.1 mm? -69.95 -33.07 71.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -63.34 -31.68 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.503 1.121 . . . . 0.0 110.784 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.2 t -68.99 -38.7 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.321 1.448 . . . . 0.0 110.45 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -49.14 37.76 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.667 0.667 . . . . 0.0 109.737 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.66 -11.46 60.16 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.756 0.822 . . . . 0.0 112.253 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -15.95 45.44 Favored 'General case' 0 C--N 1.34 0.175 0 O-C-N 121.109 -0.995 . . . . 0.0 112.167 169.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.72 -84.25 0.66 Allowed 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.982 0.81 . . . . 0.0 112.345 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.76 36.39 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.027 1.731 . . . . 0.0 112.255 -165.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.2 156.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.804 0.812 . . . . 0.0 110.086 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -120.37 117.09 26.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 127.924 2.49 . . . . 0.0 106.055 173.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 p -57.82 -40.08 79.17 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 109.904 171.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -75.07 22.53 0.11 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.644 1.978 . . . . 0.0 112.927 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 155.94 49.37 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.874 -1.141 . . . . 0.0 108.626 171.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.42 37.58 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.4 -49.26 78.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.416 1.086 . . . . 0.0 111.254 -169.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -48.08 -48.99 33.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.564 0.62 . . . . 0.0 110.494 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.55 73.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.289 -1.338 . . . . 0.0 112.157 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -45.78 -41.99 11.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.808 1.186 . . . . 0.0 110.641 176.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -68.25 -63.16 1.11 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.1 -43.08 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.467 1.107 . . . . 0.0 110.113 -170.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -49.39 59.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.098 0.959 . . . . 0.0 112.231 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.61 -29.93 70.95 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.808 -0.558 . . . . 0.0 109.629 -171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -52.9 -57.46 10.2 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.225 0.61 . . . . 0.0 112.062 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -30.5 69.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.138 -174.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.4 -1.15 1.56 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.169 1.388 . . . . 0.0 113.447 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.6 mm -82.99 -48.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 CA-C-N 121.311 1.869 . . . . 0.0 106.601 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.34 -18.48 61.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.151 1.381 . . . . 0.0 111.037 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.52 21.61 16.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.893 1.677 . . . . 0.0 109.231 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.47 167.18 11.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.384 1.088 . . . . 0.0 111.443 168.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -71.01 -58.33 3.68 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 126.255 1.822 . . . . 0.0 111.088 -166.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -137.94 173.37 11.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.84 1.656 . . . . 0.0 107.327 -170.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.9 m -61.53 -50.75 71.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.591 0.756 . . . . 0.0 111.908 -173.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -61.84 -47.08 86.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.25 -8.25 58.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.106 0.562 . . . . 0.0 111.631 -168.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -68.81 0.53 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.015 1.326 . . . . 0.0 109.531 164.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -14.39 61.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.719 -168.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -39.06 30.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.398 1.479 . . . . 0.0 112.726 172.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -84.56 -34.3 23.26 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.791 0.723 . . . . 0.0 111.539 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.93 -48.14 73.5 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.165 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.38 -17.46 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -90.18 -32.23 16.71 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 109.257 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -52.8 63.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.486 2.314 . . . . 0.0 110.1 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -3.16 0.77 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -118.31 -26.05 6.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 110.237 -175.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -30.69 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 120.53 -1.356 . . . . 0.0 110.282 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.24 -57.18 8.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.43 -37.01 74.52 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 119.263 -0.399 . . . . 0.0 111.393 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -71.43 2.34 5.09 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.335 1.054 . . . . 0.0 112.148 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -6.75 8.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.992 -1.068 . . . . 0.0 112.53 171.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.09 -30.34 0.06 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.2 57.54 8.36 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.281 0.946 . . . . 0.0 115.218 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.76 170.6 0.39 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.503 1.121 . . . . 0.0 113.133 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.55 -62.24 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.088 166.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -63.62 17.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 130.826 3.65 . . . . 0.0 115.429 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.22 -28.88 45.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 120.114 -1.616 . . . . 0.0 112.598 -169.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -16.63 58.12 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.45 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -49.23 64.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.183 1.356 . . . . 0.0 111.062 -170.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -22.31 66.31 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.76 176.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.61 -53.81 20.36 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.488 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.55 -17.75 64.23 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.975 0.807 . . . . 0.0 111.523 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.88 -69.86 0.39 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.68 1.127 . . . . 0.0 108.914 163.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -70.26 -17.83 63.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -56.56 10.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.032 1.287 . . . . 0.0 108.182 168.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -36.94 78.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.861 0.864 . . . . 0.0 110.92 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.33 -12.29 61.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.357 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 -7.33 15.78 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 119.651 1.114 . . . . 0.0 112.785 173.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.57 -17.77 22.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.647 1.579 . . . . 0.0 111.95 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.535 0.374 0 O-C-N 121.016 -1.053 . . . . 0.0 112.363 -166.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -100.09 110.11 22.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 43.82 -86.37 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.322 2.249 . . . . 0.0 114.866 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -152.33 -168.77 3.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.487 1.039 . . . . 0.0 111.246 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 ptm -57.06 96.88 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.291 1.436 . . . . 0.0 110.304 166.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -73.49 55.26 0.48 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.028 1.331 . . . . 0.0 110.81 168.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.69 62.94 2.39 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.581 1.553 . . . . 0.0 111.933 165.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.54 71.95 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 124.995 1.318 . . . . 0.0 109.672 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 33.26 4.48 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.291 1.436 . . . . 0.0 111.283 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 33.7 m 50.01 68.09 0.8 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.534 1.934 . . . . 0.0 111.432 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -71.65 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.542 2.337 . . . . 0.0 111.931 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -128.26 130.41 47.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.203 1.001 . . . . 0.0 109.514 -160.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.53 -23.37 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.841 -0.537 . . . . 0.0 111.995 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.52 -24.52 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 125.838 1.655 . . . . 0.0 111.925 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.9 -53.42 5.11 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 119.678 1.126 . . . . 0.0 109.254 170.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 9.8 mt -64.69 -42.93 94.96 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 129.571 3.148 . . . . 0.0 111.696 -159.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.1 t -54.26 -50.55 66.97 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.243 1.417 . . . . 0.0 108.394 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.23 -12.74 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 0.0 111.926 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.85 -49.9 5.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.666 -1.272 . . . . 0.0 109.365 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.4 -17.68 64.28 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.342 1.057 . . . . 0.0 111.935 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.3 -19.78 24.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.468 1.907 . . . . 0.0 111.165 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.53 -85.26 0.65 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.966 0.907 . . . . 0.0 110.033 -176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.39 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.742 1.217 . . . . 0.0 112.73 -168.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 p -54.44 150.46 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.911 0.863 . . . . 0.0 109.955 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -116.47 122.02 43.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 p -48.24 -40.93 26.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.097 1.759 . . . . 0.0 111.494 165.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -69.17 -21.4 63.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.604 1.962 . . . . 0.0 112.816 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 m -109.94 132.23 54.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -28.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.611 1.565 . . . . 0.0 114.448 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -44.66 -48.38 10.56 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.369 2.267 . . . . 0.0 112.769 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -51.52 -57.94 7.68 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.011 0.91 . . . . 0.0 109.646 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.05 77.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.88 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -33.25 43.75 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.418 1.087 . . . . 0.0 110.164 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.48 -50.46 6.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.518 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.82 -52.12 18.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 C-N-CA 123.94 0.896 . . . . 0.0 109.973 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -32.98 64.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.081 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.93 -28.98 67.14 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.273 -0.892 . . . . 0.0 110.126 -169.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -47.55 -58.84 3.76 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 124.528 1.131 . . . . 0.0 110.228 167.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.43 -43.05 93.15 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -65.86 -8.42 21.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.088 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.8 mm -73.15 -61.22 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.607 1.163 . . . . 0.0 107.887 166.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.74 -24.77 67.03 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.834 -1.166 . . . . 0.0 111.004 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 13.77 30.89 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.164 2.186 . . . . 0.0 110.512 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 168.45 14.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.727 -0.608 . . . . 0.0 110.795 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.64 -48.25 79.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.033 0.933 . . . . 0.0 112.087 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -147.82 -169.03 3.23 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 107.667 -164.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 124.003 0.921 . . . . 0.0 111.232 168.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -58.59 -46.81 86.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.679 0.792 . . . . 0.0 109.762 -166.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -72.87 -11.21 60.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.773 -0.58 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.55 -64.44 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 120.972 -1.08 . . . . 0.0 109.652 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -23.45 63.96 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.63 -171.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.49 -33.56 21.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 112.646 167.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -75.13 -44.72 45.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.61 1.096 . . . . 0.0 110.404 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptp -66.54 -37.03 84.12 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.043 -1.036 . . . . 0.0 111.469 -173.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.47 -7.34 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 124.154 0.982 . . . . 0.0 110.569 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -106.92 11.49 29.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 119.821 -1.8 . . . . 0.0 113.001 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 pp -111.96 -40.68 4.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 120.002 1.274 . . . . 0.0 111.314 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD22 ' H ' ' A' ' 59' ' ' SER . 1.3 pt? -59.05 -32.43 69.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 119.16 -2.212 . . . . 0.0 111.335 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.43 ' H ' HD22 ' A' ' 58' ' ' LEU . 7.0 t -78.63 -35.0 46.09 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 126.511 1.924 . . . . 0.0 108.48 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.0 p -70.88 -44.28 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 118.574 0.624 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.47 -56.72 8.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.75 -18.59 65.18 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.44 -0.788 . . . . 0.0 112.453 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -70.38 -46.44 64.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.07 43.8 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.463 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -142.72 -15.25 0.73 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -165.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.86 34.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 120.147 1.34 . . . . 0.0 114.486 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.02 165.44 24.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.826 0.85 . . . . 0.0 111.967 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -107.05 -56.08 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.265 1.026 . . . . 0.0 112.109 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.31 16.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.114 2.966 . . . . 0.0 114.003 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -73.82 -15.7 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 119.341 -2.1 . . . . 0.0 112.321 -167.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -87.21 -16.81 34.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.372 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -53.84 53.31 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.232 0.924 . . . . 0.0 109.854 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -43.1 78.81 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.163 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.16 -54.48 46.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.489 0.586 . . . . 0.0 110.83 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.7 -7.13 50.82 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.258 0.349 . . . . 0.0 111.86 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.28 -66.13 0.93 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.014 -1.054 . . . . 0.0 109.188 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -68.79 -25.03 64.49 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.471 -0.768 . . . . 0.0 112.982 -169.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -69.4 -41.62 76.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.004 1.274 . . . . 0.0 110.588 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -71.73 -28.38 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.863 0.865 . . . . 0.0 110.831 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.04 -11.31 58.88 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.384 -0.823 . . . . 0.0 109.59 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -49.32 9.46 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 126.183 1.793 . . . . 0.0 108.642 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.45 75.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.867 0.867 . . . . 0.0 111.48 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 t -61.07 -18.51 58.25 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.913 1.285 . . . . 0.0 111.709 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 mt -96.64 1.18 50.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.238 1.415 . . . . 0.0 113.537 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.834 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.777 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -129.75 158.87 38.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.099 0.96 . . . . 0.0 109.321 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -75.41 -78.51 0.11 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.051 0.54 . . . . 0.0 110.877 166.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HE3' ' C ' ' A' ' 5' ' ' MET . 0.0 OUTLIER 46.13 165.57 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 129.967 3.307 . . . . 0.0 111.985 -148.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.414 ' C ' ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -155.49 169.59 23.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.988 2.115 . . . . 0.0 108.665 176.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -123.14 54.06 1.27 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.002 1.382 . . . . 0.0 110.11 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.17 48.24 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.943 2.097 . . . . 0.0 111.667 166.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.34 69.11 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 125.09 1.356 . . . . 0.0 110.482 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -112.29 19.68 17.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.864 1.666 . . . . 0.0 112.686 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.77 145.11 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 128.127 2.571 . . . . 0.0 110.958 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.6 p -114.01 -67.0 1.03 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.751 1.22 . . . . 0.0 108.613 -169.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -148.92 134.95 19.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.439 2.696 . . . . 0.0 105.109 -166.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.06 -19.49 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.952 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.21 -21.39 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.686 1.595 . . . . 0.0 113.877 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.25 -45.88 4.01 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.309 1.044 . . . . 0.0 112.706 172.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.05 -39.55 86.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.863 0.756 . . . . 0.0 111.21 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -55.6 -45.52 77.45 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 125.545 1.538 . . . . 0.0 110.164 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.08 -22.5 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 120.747 -1.22 . . . . 0.0 112.044 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -50.23 6.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.834 -1.166 . . . . 0.0 109.124 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.02 -17.11 62.64 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.64 -1.171 . . . . 0.0 112.542 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -66.95 -11.26 56.01 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.378 1.445 . . . . 0.0 111.226 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD22 HE21 ' A' ' 65' ' ' GLN . 2.7 mm? -113.79 -85.89 0.59 Allowed 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.98 1.312 . . . . 0.0 110.116 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.01 25.41 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.233 1.413 . . . . 0.0 113.189 -166.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.08 159.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.07 0.948 . . . . 0.0 111.482 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -120.19 118.64 31.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.172 1.389 . . . . 0.0 108.631 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -68.7 -23.4 64.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.132 -0.355 . . . . 0.0 111.491 169.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 2.02 3.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.595 1.158 . . . . 0.0 113.498 172.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 m -121.51 160.99 23.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 109.862 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -23.9 61.29 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 176.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.19 -50.65 72.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.362 0.665 . . . . 0.0 110.533 -164.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -48.02 -42.34 27.88 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.827 1.251 . . . . 0.0 111.847 170.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 -31.69 48.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.575 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -45.12 -37.47 4.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.224 1.374 . . . . 0.0 111.798 168.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.01 -62.37 1.72 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.189 0.306 . . . . 0.0 110.396 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.11 -42.26 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -167.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -27.12 62.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.417 1.008 . . . . 0.0 112.157 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -89.11 -14.43 36.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.371 -0.831 . . . . 0.0 110.952 -174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -64.07 -55.42 22.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.2 0.909 . . . . 0.0 109.622 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.93 -38.28 87.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.646 -0.692 . . . . 0.0 111.205 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -14.44 50.46 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.036 0.834 . . . . 0.0 112.749 -176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.71 -57.98 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 172.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.11 -40.82 86.95 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.3 13.58 6.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.92 2.088 . . . . 0.0 110.644 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 177.2 1.54 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.019 1.327 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.16 -48.49 15.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.658 1.183 . . . . 0.0 112.021 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.5 168.33 19.87 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.411 1.084 . . . . 0.0 108.198 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.5 m -59.76 -50.12 75.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.965 0.506 . . . . 0.0 111.34 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -61.22 -43.32 99.06 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.57 -15.71 61.75 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.638 -0.664 . . . . 0.0 112.068 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.68 75.29 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 119.227 0.921 . . . . 0.0 110.215 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -96.56 -26.1 15.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.356 -169.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.88 -36.16 58.85 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.838 0.745 . . . . 0.0 110.474 170.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.82 56.5 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.735 -1.228 . . . . 0.0 113.397 176.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.15 -39.5 82.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.92 1.691 . . . . 0.0 110.409 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.16 -7.22 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.395 1.078 . . . . 0.0 110.871 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -108.2 10.72 27.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 126.045 1.738 . . . . 0.0 112.535 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.91 -48.37 2.84 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.491 1.496 . . . . 0.0 109.441 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -54.85 -35.42 63.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.885 1.674 . . . . 0.0 112.55 -160.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -77.56 -27.88 51.64 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.786 1.234 . . . . 0.0 109.597 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.71 -44.5 81.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 CA-C-N 119.075 0.852 . . . . 0.0 108.776 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.43 65.77 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.42 -37.49 86.02 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.909 -0.495 . . . . 0.0 111.69 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -63.33 -8.02 7.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 127.94 2.496 . . . . 0.0 111.979 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -12.29 5.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.701 1.2 . . . . 0.0 113.811 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.467 HE21 HD22 ' A' ' 22' ' ' LEU . 7.1 pt20 -150.57 -10.56 0.25 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.3 46.74 43.96 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.827 1.203 . . . . 0.0 112.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.0 176.13 0.76 Allowed 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.395 1.078 . . . . 0.0 111.508 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 70' ' ' ILE . 1.4 p -117.38 -50.85 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 C-N-CA 123.326 0.65 . . . . 0.0 110.091 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -81.97 14.75 2.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.22 -1.392 . . . . 0.0 109.642 -157.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' H ' ' C ' ' A' ' 68' ' ' VAL . 6.9 tp -64.15 -19.94 25.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 120.871 -1.143 . . . . 0.0 111.225 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -76.4 -25.19 54.27 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 123.162 0.585 . . . . 0.0 111.443 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -67.0 -52.4 43.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.528 0.604 . . . . 0.0 110.323 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.79 -37.44 66.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.38 173.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.8 m -59.39 -48.12 82.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 119.677 1.126 . . . . 0.0 110.676 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.54 -45.44 94.17 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 124.141 0.901 . . . . 0.0 109.27 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.73 -55.02 38.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.795 0.438 . . . . 0.0 110.69 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -72.07 -22.24 61.39 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.587 0.63 . . . . 0.0 112.38 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.64 -53.44 41.45 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.532 1.06 . . . . 0.0 110.38 166.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.24 -21.59 61.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.429 -0.794 . . . . 0.0 110.649 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.42 -28.0 65.76 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.891 -1.131 . . . . 0.0 111.488 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -32.41 17.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 120.337 1.426 . . . . 0.0 111.095 174.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -28.61 69.12 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -69.7 -5.23 23.64 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.085 0.954 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.09 -4.05 58.46 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 120.838 -1.164 . . . . 0.0 112.529 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 123.373 0.669 . . . . 0.0 111.072 -151.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.563 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.43 -39.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.679 1.192 . . . . 0.0 109.683 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m 61.58 169.65 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.963 1.705 . . . . 0.0 112.238 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 126.49 34.94 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 158.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 ptm 46.27 -62.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 131.032 3.733 . . . . 0.0 118.067 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 64.41 16.42 10.18 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.854 1.662 . . . . 0.0 114.603 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 4.2 t70 73.94 74.88 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 123.537 1.637 . . . . 0.0 111.391 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m -121.32 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.932 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HE2' ' OD1' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -123.89 17.33 9.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.622 1.169 . . . . 0.0 113.608 -175.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t 52.2 88.59 0.03 OUTLIER 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.0 1.72 . . . . 0.0 110.362 -170.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -97.44 150.23 21.27 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 161.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m 44.07 99.08 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.417 3.087 . . . . 0.0 113.823 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.57 -17.02 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 119.867 -1.771 . . . . 0.0 114.16 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.68 -45.65 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.894 1.278 . . . . 0.0 109.451 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -40.18 17.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 118.488 0.585 . . . . 0.0 112.181 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.46 -31.32 71.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.741 0.7 . . . . 0.0 111.993 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -54.65 -42.6 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.67 1.588 . . . . 0.0 109.502 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.12 -16.7 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.605 0.762 . . . . 0.0 112.216 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -96.21 -48.27 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 120.636 -1.29 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -69.08 -14.21 62.89 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.897 0.879 . . . . 0.0 111.651 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.32 -34.37 23.43 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.781 1.232 . . . . 0.0 110.709 165.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -110.31 -85.68 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -162.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.97 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.675 0.79 . . . . 0.0 112.455 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.67 141.03 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 124.059 0.944 . . . . 0.0 109.744 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.65 125.83 47.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.448 -2.427 . . . . 0.0 104.448 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 p -58.94 -29.27 66.99 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.27 0.941 . . . . 0.0 110.928 172.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -62.3 -31.14 71.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.132 0.973 . . . . 0.0 111.041 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -69.11 138.44 54.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -23.93 2.9 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.129 0.966 . . . . 0.0 111.74 169.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -53.78 -41.54 67.33 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 126.716 2.006 . . . . 0.0 112.595 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -55.73 -55.89 26.98 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.409 0.55 . . . . 0.0 109.844 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.52 90.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.568 1.147 . . . . 0.0 112.064 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -36.05 30.05 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.443 1.497 . . . . 0.0 111.477 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.4 t -79.76 -58.5 3.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.91 -42.42 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.74 0.816 . . . . 0.0 110.42 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -42.87 84.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.556 0.616 . . . . 0.0 112.082 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -74.56 -14.01 60.74 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.506 1.123 . . . . 0.0 110.881 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -60.84 -49.45 77.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.252 0.621 . . . . 0.0 110.082 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -60.97 -37.94 84.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -24.94 31.25 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.341 1.056 . . . . 0.0 111.916 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -76.65 -49.49 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.181 1.392 . . . . 0.0 109.301 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.31 -40.47 77.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 120.39 -1.444 . . . . 0.0 109.001 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.48 5.96 9.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.602 1.161 . . . . 0.0 111.007 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.79 162.37 16.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 122.455 1.122 . . . . 0.0 112.914 -173.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.12 -58.47 8.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.767 1.627 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.33 179.91 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 125.662 1.585 . . . . 0.0 106.949 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -59.28 -56.63 19.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 111.918 165.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -52.79 60.01 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.19 -0.35 11.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.994 0.517 . . . . 0.0 111.582 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.62 -70.16 0.53 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.604 -1.31 . . . . 0.0 108.858 162.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -66.88 -25.24 66.3 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 111.188 -170.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.77 -36.8 27.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.208 1.003 . . . . 0.0 112.054 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -87.95 -28.63 21.36 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.91 -1.118 . . . . 0.0 111.802 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 ptp -67.08 -37.62 84.29 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.551 1.523 . . . . 0.0 111.13 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -11.51 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.516 1.526 . . . . 0.0 110.742 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -92.64 -5.95 50.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.941 0.896 . . . . 0.0 112.704 172.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.7 -48.05 3.49 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 120.247 -1.533 . . . . 0.0 109.002 -169.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.12 7.61 0.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.885 2.074 . . . . 0.0 114.89 -171.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -112.7 -37.98 4.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.499 1.92 . . . . 0.0 111.706 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.78 -23.03 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 119.339 0.972 . . . . 0.0 111.92 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.97 -58.23 5.35 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 168.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.12 -32.91 70.26 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.126 0.971 . . . . 0.0 113.484 -164.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -70.71 -26.0 63.21 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -24.33 19.4 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.837 -1.165 . . . . 0.0 112.543 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -142.13 -19.38 0.72 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -168.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 53.26 30.19 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 120.091 1.314 . . . . 0.0 113.562 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.28 173.17 11.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 117.698 0.749 . . . . 0.0 112.022 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 m -126.26 -41.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.35 16.95 0.9 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.097 -1.627 . . . . 0.0 112.44 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -66.39 -22.82 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 120.322 -1.486 . . . . 0.0 112.011 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -82.77 -14.67 54.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.368 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 -53.84 27.38 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 119.556 1.071 . . . . 0.0 109.717 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -27.1 65.71 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.404 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.2 m -56.25 -56.16 24.4 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 119.176 0.898 . . . . 0.0 109.791 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -74.64 -3.64 32.47 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.283 1.833 . . . . 0.0 111.189 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -71.89 0.53 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 170.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -65.03 -24.28 67.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -172.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.41 -52.1 17.47 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 119.738 1.154 . . . . 0.0 109.407 172.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.3 -29.09 69.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.975 0.893 . . . . 0.0 110.69 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -68.55 -27.26 65.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.898 -1.126 . . . . 0.0 111.612 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.25 -29.68 22.92 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 111.52 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.33 62.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.072 0.949 . . . . 0.0 113.462 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -73.91 -20.07 60.5 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 120.535 -1.353 . . . . 0.0 110.3 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 67.8 mt -76.15 3.1 11.29 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.625 1.17 . . . . 0.0 112.534 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 124.293 1.037 . . . . 0.0 108.839 -163.375 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -153.15 160.13 42.82 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 168.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m 67.18 160.37 0.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.013 2.125 . . . . 0.0 113.316 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 150.45 47.88 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 126.883 2.073 . . . . 0.0 108.532 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -67.36 135.47 53.28 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 153.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -71.98 -179.22 2.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 124.877 1.36 . . . . 0.0 108.462 167.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -88.36 91.8 8.93 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.6 1.56 . . . . 0.0 107.85 -175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -115.66 39.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 123.124 1.44 . . . . 0.0 113.064 -167.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.78 2.05 25.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 67.17 157.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.187 2.995 . . . . 0.0 112.366 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -87.67 0.07 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -75.12 130.65 39.61 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.33 -19.52 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.308 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -45.02 -47.62 2.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 124.967 1.307 . . . . 0.0 109.529 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.83 -40.41 54.91 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 123.7 0.8 . . . . 0.0 111.972 -174.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.63 -36.44 76.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.956 0.502 . . . . 0.0 111.138 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.609 1.164 . . . . 0.0 110.157 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -52.19 -36.53 20.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 123.597 0.759 . . . . 0.0 111.038 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.29 -48.52 8.44 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 123.35 0.66 . . . . 0.0 110.363 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.37 -11.07 59.97 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.246 0.967 . . . . 0.0 111.657 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -62.35 -23.21 66.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.693 -1.255 . . . . 0.0 109.98 164.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.43 -73.38 0.65 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.829 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.98 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.178 1.391 . . . . 0.0 113.476 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.301 7.5 p 42.02 129.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 130.818 3.647 . . . . 0.0 116.153 174.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -93.57 100.51 12.76 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.995 -1.69 . . . . 0.0 108.341 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -55.67 -37.81 68.78 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.218 1.007 . . . . 0.0 110.278 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 m -79.86 46.56 0.79 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.086 1.754 . . . . 0.0 111.248 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 t -154.52 159.57 41.03 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.448 1.899 . . . . 0.0 106.942 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -20.72 57.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 162.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.3 -58.31 7.51 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.035 0.934 . . . . 0.0 112.003 -172.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -45.62 -44.92 13.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.706 0.685 . . . . 0.0 111.829 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.0 66.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.049 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -47.04 -43.85 20.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.517 1.527 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.47 -55.38 5.74 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.377 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -57.97 -39.96 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 O-C-N 123.91 0.756 . . . . 0.0 110.861 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -44.16 47.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 122.712 0.405 . . . . 0.0 111.588 -176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tt -74.82 -26.63 59.85 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.608 -0.682 . . . . 0.0 109.679 -171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -48.1 -55.73 9.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.284 1.034 . . . . 0.0 109.937 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -39.47 92.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.35 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.9 -18.99 48.98 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.562 -1.208 . . . . 0.0 111.741 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 mm -60.58 -62.38 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 120.131 1.332 . . . . 0.0 108.496 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.52 -35.9 82.46 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.632 1.206 . . . . 0.0 108.492 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.01 9.93 9.1 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.84 2.056 . . . . 0.0 110.73 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.43 -177.97 1.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.225 1.012 . . . . 0.0 111.16 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -87.12 -52.53 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.602 0.761 . . . . 0.0 110.636 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.09 173.25 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -171.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -50.46 73.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.931 0.892 . . . . 0.0 111.343 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -60.72 -49.59 76.88 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.72 -38.16 80.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.34 0.656 . . . . 0.0 110.451 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.09 84.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.635 0.774 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.46 -21.18 16.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 119.225 0.92 . . . . 0.0 111.494 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.12 -49.96 30.25 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.08 0.952 . . . . 0.0 108.48 168.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -70.19 -33.22 71.45 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.356 -1.307 . . . . 0.0 113.326 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -66.82 -40.24 87.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 121.163 1.801 . . . . 0.0 110.278 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.68 -22.39 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -81.96 -8.01 59.65 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.283 -1.511 . . . . 0.0 113.236 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -57.01 3.06 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 120.232 1.378 . . . . 0.0 111.38 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.62 -47.82 10.44 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.476 1.51 . . . . 0.0 113.698 -162.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -28.91 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.926 2.49 . . . . 0.0 109.61 -170.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.02 -52.17 59.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -39.36 51.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.833 -171.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.44 -41.41 94.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 119.127 0.876 . . . . 0.0 109.595 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -75.13 6.56 4.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.684 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.27 -5.49 8.86 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.947 1.249 . . . . 0.0 112.85 168.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.43 -33.95 0.26 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -164.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 32.62 56.94 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 120.281 1.4 . . . . 0.0 114.534 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.22 146.37 53.54 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.78 1.29 . . . . 0.0 112.514 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 m -85.29 -55.26 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.772 0.829 . . . . 0.0 109.937 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -83.03 21.25 1.08 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.725 1.61 . . . . 0.0 112.632 -158.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 tp -66.14 -15.15 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 120.786 -1.197 . . . . 0.0 112.638 -168.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -94.28 -13.25 26.7 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.028 1.731 . . . . 0.0 111.716 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -50.49 32.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.764 0.711 . . . . 0.0 110.386 -167.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -33.85 74.56 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.489 0.493 . . . . 0.0 110.602 172.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.33 -49.07 79.06 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.273 0.942 . . . . 0.0 108.911 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.52 -9.0 30.31 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.185 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.262 3.1 pt-20 -88.58 -63.78 1.24 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 120.779 1.627 . . . . 0.0 108.894 166.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -67.08 -21.39 65.88 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.643 1.177 . . . . 0.0 113.065 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.21 -24.91 61.47 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.935 -0.478 . . . . 0.0 110.721 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.8 -30.56 11.63 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 123.368 0.667 . . . . 0.0 112.249 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.08 -15.81 57.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.716 -0.615 . . . . 0.0 111.634 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -30.71 16.03 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.0 112.795 167.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.48 -23.87 56.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.326 1.45 . . . . 0.0 111.317 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.7 t -64.3 -19.22 65.28 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.343 1.857 . . . . 0.0 111.402 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.73 -5.1 44.05 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.486 1.115 . . . . 0.0 113.189 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.246 0.874 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -160.104 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.352 0 N-CA-C 108.201 -1.96 . . . . 0.0 108.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -137.26 -7.2 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 118.09 -0.957 . . . . 0.0 112.753 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m 45.9 -77.46 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.523 2.329 . . . . 0.0 115.104 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 144.72 0.08 Allowed 'General case' 0 C--O 1.237 0.428 1 C-N-CA 132.528 4.331 . . . . 0.0 110.442 -165.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.403 ' C ' ' H ' ' A' ' 7' ' ' ASP . 3.9 ptm -63.44 97.6 0.14 Allowed 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -76.53 32.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.788 1.635 . . . . 0.0 111.965 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 5' ' ' MET . 0.6 OUTLIER 48.54 83.45 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.309 2.644 . . . . 0.0 109.061 -178.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.36 42.93 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.473 1.109 . . . . 0.0 111.945 -169.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 38.53 0.89 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.8 -1.188 . . . . 0.0 110.484 -169.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m 55.68 -66.35 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 128.972 2.909 . . . . 0.0 113.068 -168.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.271 3.2 p 75.55 -164.96 0.07 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 128.098 2.559 . . . . 0.0 110.66 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -43.44 112.76 0.41 Allowed 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 130.244 3.418 . . . . 0.0 109.942 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 m -51.92 -17.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 124.757 1.223 . . . . 0.0 113.969 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.65 -47.59 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.49 1.516 . . . . 0.0 109.89 172.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.84 -44.28 15.65 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.74 -43.54 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.859 -0.526 . . . . 0.0 110.536 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -58.88 -26.41 64.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.395 1.078 . . . . 0.0 111.898 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.32 -39.22 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 119.981 1.264 . . . . 0.0 109.905 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -40.65 17.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.044 0.838 . . . . 0.0 109.906 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.85 -15.21 63.44 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.51 1.524 . . . . 0.0 111.859 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.07 -37.05 68.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 109.531 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.09 -86.19 0.32 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.26 27.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.704 1.602 . . . . 0.0 112.224 -166.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.32 148.2 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.377 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -97.1 112.5 24.25 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -49.77 -42.52 46.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.766 1.626 . . . . 0.0 109.704 166.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.5 p -80.05 39.5 0.44 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.961 -1.087 . . . . 0.0 112.345 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -138.82 151.45 47.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 162.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.28 7.53 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -54.81 -42.43 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.799 0.727 . . . . 0.0 110.977 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -54.3 -47.79 72.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.451 0.701 . . . . 0.0 111.765 170.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -36.78 52.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 -168.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -43.67 -45.06 6.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.733 1.213 . . . . 0.0 111.3 171.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.8 -49.78 35.63 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.114 -171.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.65 -39.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.7 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -43.84 64.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.542 1.064 . . . . 0.0 109.729 -173.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -31.71 69.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.02 0.928 . . . . 0.0 111.176 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -56.43 -49.38 74.74 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.043 0.937 . . . . 0.0 110.681 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -58.47 -45.84 87.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.5 -5.18 18.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.188 1.395 . . . . 0.0 112.621 -165.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.09 -48.29 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.731 2.012 . . . . 0.0 108.683 168.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.0 mt -72.79 -24.39 60.92 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.372 1.069 . . . . 0.0 111.202 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -91.48 1.98 56.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.769 0.828 . . . . 0.0 111.401 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.77 178.89 2.4 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.966 0.906 . . . . 0.0 113.397 -166.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.36 -86.12 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 170.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -105.07 179.29 4.31 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 125.038 1.335 . . . . 0.0 108.749 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.7 m -58.51 -58.87 6.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.729 0.411 . . . . 0.0 110.72 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 t -55.94 -47.85 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.86 0.864 . . . . 0.0 108.849 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.11 -19.17 61.84 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.621 0.769 . . . . 0.0 111.09 -175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.93 -69.76 0.26 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 167.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -71.85 -21.31 61.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.844 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.91 -38.32 35.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.716 1.144 . . . . 0.0 112.196 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -82.52 -27.79 31.5 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.021 -1.049 . . . . 0.0 113.235 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.82 -37.87 87.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.611 1.551 . . . . 0.0 110.124 171.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.72 -27.46 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 109.672 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -1.76 24.18 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 171.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' C ' ' H ' ' A' ' 59' ' ' SER 0.292 0.2 OUTLIER -115.12 -25.6 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 168.22 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 3.03 0.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 O-C-N 119.597 -1.94 . . . . 0.0 115.499 -174.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 57' ' ' LEU . 1.4 m -123.66 -51.57 1.82 Allowed 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 126.394 1.878 . . . . 0.0 108.255 -175.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.39 -32.56 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.382 1.873 . . . . 0.0 113.098 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.49 -43.02 10.52 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 125.738 1.615 . . . . 0.0 110.121 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.53 -35.25 80.32 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 19.11 0.87 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.935 1.294 . . . . 0.0 110.54 173.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -23.47 4.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.09 -1.631 . . . . 0.0 112.383 162.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.22 -25.46 0.85 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 119.146 3.017 . . . . 0.0 119.146 -162.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.46 53.26 5.17 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.24 1.382 . . . . 0.0 114.502 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.04 170.87 8.98 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.582 1.691 . . . . 0.0 111.727 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.23 -36.26 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.22 1.008 . . . . 0.0 113.483 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -76.61 15.74 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.81 -1.182 . . . . 0.0 112.728 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.5 tp -63.65 -29.49 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 124.992 1.317 . . . . 0.0 111.12 -168.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -90.01 -6.96 55.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.392 1.077 . . . . 0.0 112.569 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -59.02 3.52 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.072 1.305 . . . . 0.0 109.739 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -22.51 63.25 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.774 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.6 m -58.2 -57.58 12.25 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.077 0.853 . . . . 0.0 109.48 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.41 -19.22 65.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.252 1.021 . . . . 0.0 112.204 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -68.53 0.45 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.764 0.826 . . . . 0.0 109.978 169.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -75.61 -18.62 59.65 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -163.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -52.23 50.6 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 119.137 0.88 . . . . 0.0 108.955 162.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.22 -39.41 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.292 0.568 . . . . 0.0 111.007 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.85 -18.84 64.55 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 117.387 -1.292 . . . . 0.0 111.844 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -42.34 11.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 121.051 1.751 . . . . 0.0 111.073 166.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.55 73.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.323 1.449 . . . . 0.0 112.456 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 t -66.98 -26.17 66.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.035 -170.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.49 1.79 40.04 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.251 1.02 . . . . 0.0 112.593 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.396 -174.451 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.805 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -144.95 126.95 15.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 171.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -132.7 153.68 50.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.428 1.091 . . . . 0.0 110.344 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 142.73 50.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.708 -0.663 . . . . 0.0 109.878 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.9 mtp 59.11 174.02 0.07 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.643 1.977 . . . . 0.0 114.77 171.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -143.46 24.65 1.73 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 154.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.68 53.7 0.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 124.644 2.164 . . . . 0.0 109.79 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.02 79.63 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 127.273 2.229 . . . . 0.0 107.05 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 1.84 18.09 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 50.95 177.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 129.268 3.027 . . . . 0.0 113.025 -171.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t 177.81 170.34 0.67 Allowed 'General case' 0 C--O 1.239 0.512 0 C-N-CA 129.084 2.954 . . . . 0.0 107.018 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m 43.83 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.655 2.382 . . . . 0.0 113.493 160.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.46 -22.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 116.591 -1.671 . . . . 0.0 114.912 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.02 -39.61 3.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 120.381 1.446 . . . . 0.0 111.787 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.29 4.29 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.961 1.255 . . . . 0.0 110.338 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.5 -38.77 88.54 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.323 -0.86 . . . . 0.0 113.0 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.74 -37.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.636 1.574 . . . . 0.0 111.123 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.27 -38.75 63.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 119.934 1.243 . . . . 0.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.72 -46.02 10.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.996 0.817 . . . . 0.0 110.535 -171.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.06 -24.58 67.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -51.62 -29.28 17.03 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.098 1.359 . . . . 0.0 111.004 172.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -102.92 -87.73 0.41 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.129 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.9 25.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.377 0.99 . . . . 0.0 112.716 -166.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.48 155.23 4.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 125.769 1.628 . . . . 0.0 112.367 -170.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -118.47 109.5 16.3 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.187 1.395 . . . . 0.0 109.26 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -56.13 -31.99 63.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.935 0.894 . . . . 0.0 111.091 166.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -71.77 15.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.759 2.024 . . . . 0.0 113.305 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -137.73 160.98 37.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 120.163 1.347 . . . . 0.0 109.031 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -26.63 58.86 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 173.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.27 -43.07 87.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.048 0.539 . . . . 0.0 111.754 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.6 t90 -55.62 -38.2 69.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.931 0.787 . . . . 0.0 111.171 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -26.1 48.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 112.158 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -55.93 -21.84 22.84 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.445 1.098 . . . . 0.0 112.444 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -33.5 7.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.711 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.25 -72.91 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 119.122 0.874 . . . . 0.0 109.622 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.97 70.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.882 1.219 . . . . 0.0 110.799 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.01 -8.67 57.82 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.298 -174.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -79.5 -46.23 17.81 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.212 0.914 . . . . 0.0 110.005 164.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -63.58 -44.44 94.06 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.89 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.04 -29.74 45.13 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.497 1.519 . . . . 0.0 111.23 -170.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.7 mm -57.07 -63.81 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 128.723 2.809 . . . . 0.0 110.375 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.3 -3.96 30.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.016 0.926 . . . . 0.0 110.642 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.52 3.76 11.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 129.169 2.988 . . . . 0.0 110.426 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 178.64 3.0 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.264 1.026 . . . . 0.0 111.874 -170.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -64.82 -70.19 0.24 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -133.76 171.58 13.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 m -49.82 -54.77 17.27 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.384 1.473 . . . . 0.0 111.937 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -65.2 -40.06 93.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -168.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.56 -21.2 49.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -69.48 0.26 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.681 1.192 . . . . 0.0 109.535 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -19.66 63.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.046 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -30.56 5.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.55 1.94 . . . . 0.0 114.82 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -26.7 16.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.845 0.748 . . . . 0.0 112.743 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 ttm -60.14 -52.62 64.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.972 1.309 . . . . 0.0 110.419 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.81 -11.0 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 120.952 -1.093 . . . . 0.0 113.793 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -108.11 9.16 28.35 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.34 1.856 . . . . 0.0 111.354 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 pp -115.25 -42.39 3.18 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.21 1.368 . . . . 0.0 110.282 175.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -59.36 -30.99 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 119.218 0.917 . . . . 0.0 111.902 -170.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -74.18 -38.82 63.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 108.463 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.39 -50.07 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.036 1.734 . . . . 0.0 109.177 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.21 -59.17 5.83 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.058 0.943 . . . . 0.0 108.799 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.35 -29.45 70.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.392 -0.814 . . . . 0.0 110.896 -171.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.1 t -77.13 13.98 1.0 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.081 0.855 . . . . 0.0 112.117 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -18.16 2.81 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.6 1.091 . . . . 0.0 112.931 169.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 6.8 pt20 -128.57 -70.98 0.66 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.496 -172.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.58 49.95 0.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -165.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.09 165.34 20.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.08 -39.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 123.742 0.817 . . . . 0.0 112.068 -176.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -79.43 11.54 2.94 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.779 -0.575 . . . . 0.0 111.572 -171.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.8 tp -66.16 -20.33 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.82 1.248 . . . . 0.0 111.633 -173.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.52 -13.2 46.65 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 112.28 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -68.78 -61.53 1.77 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 120.426 1.466 . . . . 0.0 110.291 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -29.06 64.63 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.085 -176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.34 -50.79 71.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.55 -9.64 58.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.256 1.022 . . . . 0.0 111.353 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -72.85 0.2 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.671 -1.268 . . . . 0.0 107.974 156.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -61.43 -28.87 69.57 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.78 -54.71 17.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 119.949 1.25 . . . . 0.0 111.0 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.11 -32.99 74.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.272 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.41 -23.88 67.59 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -91.41 -31.08 16.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.201 1.364 . . . . 0.0 111.182 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.6 -31.2 70.21 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.033 1.333 . . . . 0.0 110.275 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -68.65 -9.72 51.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.923 1.689 . . . . 0.0 111.308 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -86.36 2.55 47.07 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 121.139 -0.976 . . . . 0.0 111.51 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 124.109 0.964 . . . . 0.0 109.511 -167.095 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . 0.294 4.0 p-80 48.31 33.35 3.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.359 1.863 . . . . 0.0 112.592 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.73 -45.89 13.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.847 1.259 . . . . 0.0 111.145 -170.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.71 -34.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.0 ptm 176.09 121.97 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 126.559 1.943 . . . . 0.0 107.485 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -94.23 55.27 2.0 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.936 0.874 . . . . 0.0 109.92 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t0 73.41 38.9 0.62 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.106 2.162 . . . . 0.0 115.019 165.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -95.99 75.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 123.634 1.683 . . . . 0.0 112.029 -162.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 pttt -95.83 89.96 5.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 126.865 2.066 . . . . 0.0 110.506 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 p -64.65 130.37 43.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.431 1.11 . . . . 0.0 111.436 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -142.68 166.08 25.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 127.573 2.349 . . . . 0.0 106.3 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m 44.45 107.56 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.03 2.532 . . . . 0.0 115.521 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.78 -20.73 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 119.906 -1.746 . . . . 0.0 113.248 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -37.88 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.39 1.076 . . . . 0.0 111.846 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -54.09 5.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 120.06 1.3 . . . . 0.0 108.787 176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.46 -39.54 81.38 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.462 1.905 . . . . 0.0 112.172 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 t -55.05 -48.5 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 125.696 1.598 . . . . 0.0 109.462 172.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.97 -23.26 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.282 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.85 -48.72 7.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.336 1.426 . . . . 0.0 110.309 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.6 -17.99 62.89 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.994 0.918 . . . . 0.0 112.871 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -58.51 -23.52 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.468 1.507 . . . . 0.0 111.291 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 HE21 ' A' ' 65' ' ' GLN . 1.9 mm? -108.61 -80.84 0.57 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.905 0.775 . . . . 0.0 109.804 -173.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.9 26.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.545 1.938 . . . . 0.0 112.446 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.56 153.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-O 122.522 1.153 . . . . 0.0 110.85 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -108.68 112.24 24.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -60.06 -30.73 69.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.83 0.452 . . . . 0.0 110.165 170.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 t -70.91 23.49 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.891 1.676 . . . . 0.0 112.899 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -133.13 157.18 45.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 120.479 1.49 . . . . 0.0 109.188 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -20.34 48.47 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.608 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -58.42 -52.76 64.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 118.267 0.485 . . . . 0.0 110.925 -174.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -54.36 -35.94 63.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.602 -0.686 . . . . 0.0 111.215 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 -31.44 45.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.8 -49.1 49.98 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 125.792 1.637 . . . . 0.0 108.494 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.22 -42.67 54.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.037 -172.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.58 -59.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.22 1.408 . . . . 0.0 109.99 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -44.42 82.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.349 0.977 . . . . 0.0 111.326 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.64 -27.86 66.38 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.38 -0.825 . . . . 0.0 110.962 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -57.22 -49.01 77.35 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.356 0.98 . . . . 0.0 111.177 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.35 -49.14 77.09 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -61.46 -16.73 49.87 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 117.726 -1.13 . . . . 0.0 112.401 -170.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.67 -68.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 170.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.36 -26.42 67.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.968 0.907 . . . . 0.0 109.621 -171.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.99 -0.65 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.941 1.296 . . . . 0.0 110.956 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 170.25 0.63 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.661 0.784 . . . . 0.0 110.883 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -66.96 0.5 Allowed 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 172.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -125.0 170.54 11.03 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.596 1.189 . . . . 0.0 110.45 -165.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.0 m -50.11 -53.03 30.16 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.014 2.126 . . . . 0.0 112.209 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -62.45 -46.15 89.84 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 119.25 -0.98 . . . . 0.0 108.572 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.24 -26.25 62.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.86 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.82 83.01 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.626 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -102.91 -23.35 13.74 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.06 -23.68 21.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.747 1.219 . . . . 0.0 113.075 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -34.71 15.76 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 117.659 -1.162 . . . . 0.0 112.952 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptp -65.11 -38.57 91.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.0 1.727 . . . . 0.0 111.42 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.61 -19.88 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 122.183 0.992 . . . . 0.0 112.716 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.2 m -101.38 16.19 26.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.132 2.573 . . . . 0.0 110.606 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.32 -59.45 1.64 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.04 7.44 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.859 2.464 . . . . 0.0 116.569 -167.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -134.92 -19.35 1.78 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.456 2.302 . . . . 0.0 111.064 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.86 -39.71 75.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 119.998 -1.689 . . . . 0.0 109.279 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mt -72.07 -42.16 66.56 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.079 0.952 . . . . 0.0 109.274 -172.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.36 -34.47 66.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 14.66 1.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.804 0.841 . . . . 0.0 112.047 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.45 -6.34 4.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 112.739 167.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.405 HE21 HD21 ' A' ' 22' ' ' LEU . 6.5 pt20 -154.31 -28.61 0.12 Allowed 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -173.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.79 68.29 1.72 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.964 1.269 . . . . 0.0 111.852 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.12 175.24 9.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.536 1.534 . . . . 0.0 112.476 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -56.66 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.17 1.388 . . . . 0.0 114.115 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -73.81 16.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.552 2.741 . . . . 0.0 111.987 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.22 -24.43 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.565 1.146 . . . . 0.0 112.112 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -85.8 -10.87 54.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.933 -0.479 . . . . 0.0 111.469 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -49.41 70.15 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -171.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -33.5 70.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.233 173.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.3 m -69.08 -24.62 64.16 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 119.903 1.229 . . . . 0.0 112.647 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -95.27 -5.69 43.08 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.986 0.812 . . . . 0.0 110.841 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -103.19 -63.88 1.13 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.418 1.087 . . . . 0.0 109.5 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -68.02 -33.53 74.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.653 -1.279 . . . . 0.0 112.523 -171.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.45 -30.78 71.81 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.389 -0.819 . . . . 0.0 109.43 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.66 -40.02 30.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 110.446 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.07 -11.97 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.748 1.219 . . . . 0.0 113.637 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -30.13 14.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 120.364 1.438 . . . . 0.0 112.124 165.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.12 89.91 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.1 t -61.32 -8.5 3.93 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 129.511 3.124 . . . . 0.0 111.415 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.77 1.04 56.6 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.178 -0.951 . . . . 0.0 112.013 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--O 1.252 1.216 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -157.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.644 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -147.17 143.86 28.53 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -130.9 143.88 51.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.704 1.201 . . . . 0.0 108.9 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 23.59 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 75.11 -179.65 0.18 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.639 1.975 . . . . 0.0 110.72 -157.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.95 168.09 23.18 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.817 2.047 . . . . 0.0 108.062 -175.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.43 62.8 4.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.13 1.443 . . . . 0.0 109.849 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.3 66.45 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 127.448 2.299 . . . . 0.0 111.185 -168.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -2.55 27.6 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.194 -0.941 . . . . 0.0 113.429 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.7 m 48.33 52.23 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.757 1.265 . . . . 0.0 110.794 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -59.52 168.5 1.58 Allowed 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.495 1.918 . . . . 0.0 108.025 151.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.37 97.84 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.411 2.685 . . . . 0.0 113.6 166.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -55.22 -18.81 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 120.483 -1.386 . . . . 0.0 114.489 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.27 -27.51 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.019 0.827 . . . . 0.0 110.91 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.96 -50.04 12.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 124.202 1.953 . . . . 0.0 108.906 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.2 -40.64 96.51 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 128.126 2.571 . . . . 0.0 110.172 -165.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -59.45 -44.07 93.03 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.952 1.301 . . . . 0.0 109.231 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.38 -17.86 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.488 1.115 . . . . 0.0 111.498 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -49.09 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 120.165 -1.584 . . . . 0.0 109.702 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -67.71 -18.73 65.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.887 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.34 -30.79 19.69 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.111 1.364 . . . . 0.0 111.008 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.95 -87.2 0.59 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.801 -164.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.51 39.08 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.799 2.44 . . . . 0.0 109.999 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.03 132.66 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 121.334 -0.853 . . . . 0.0 110.711 -173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.05 94.57 0.07 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.632 1.573 . . . . 0.0 108.246 166.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 p -66.81 -4.75 9.96 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 112.073 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -95.26 -2.12 50.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.758 1.623 . . . . 0.0 112.326 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 m -117.18 163.33 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 121.502 1.955 . . . . 0.0 111.638 -171.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -28.2 62.45 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.851 -0.531 . . . . 0.0 111.843 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.9 -49.56 68.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.581 0.352 . . . . 0.0 110.84 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.45 -44.64 65.64 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 122.375 0.27 . . . . 0.0 110.549 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -31.7 71.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.438 -0.792 . . . . 0.0 111.945 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -58.17 -21.02 45.42 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 120.172 1.351 . . . . 0.0 112.521 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -55.88 3.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 165.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.55 -55.06 25.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -168.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -21.18 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.6 -0.687 . . . . 0.0 112.071 -178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.3 -19.35 23.06 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.812 -0.555 . . . . 0.0 109.852 -168.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -59.96 -59.36 5.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.264 1.026 . . . . 0.0 111.682 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.99 -32.73 69.95 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.254 -0.279 . . . . 0.0 110.865 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -16.14 49.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.572 -1.204 . . . . 0.0 112.594 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -77.61 -46.27 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.7 -32.7 72.7 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.487 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.92 -0.02 57.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.946 0.499 . . . . 0.0 110.918 -176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 170.42 16.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.155 0.979 . . . . 0.0 111.548 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -71.44 -74.09 0.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.301 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -103.44 170.5 7.91 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -60.22 -47.97 83.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.536 1.134 . . . . 0.0 112.096 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 t -58.7 -42.32 88.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 108.856 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -27.57 57.89 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.673 -0.642 . . . . 0.0 111.329 -174.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.98 -62.94 1.37 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.205 1.002 . . . . 0.0 109.758 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -20.23 62.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.133 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -53.79 -26.29 23.15 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.109 -0.994 . . . . 0.0 112.556 168.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -73.66 -46.6 45.57 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 120.727 -1.233 . . . . 0.0 111.797 171.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.54 -37.42 82.67 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.384 0.993 . . . . 0.0 110.907 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.17 -4.89 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 125.274 1.429 . . . . 0.0 111.237 176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.0 m -112.43 10.16 19.75 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.286 1.434 . . . . 0.0 112.102 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 pp -120.22 -32.9 4.03 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.683 1.583 . . . . 0.0 111.602 171.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.61 2.64 2.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.989 1.716 . . . . 0.0 113.66 -170.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -127.57 -15.16 5.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.983 2.513 . . . . 0.0 110.56 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -71.06 -61.77 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -37.0 73.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -164.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.55 -37.25 86.61 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.983 0.513 . . . . 0.0 110.079 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 18.52 0.64 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.236 0.541 . . . . 0.0 111.989 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -1.79 3.12 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.458 -1.258 . . . . 0.0 113.348 165.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -152.31 -25.76 0.17 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 118.124 2.638 . . . . 0.0 118.124 -164.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.62 48.02 52.79 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 120.574 1.534 . . . . 0.0 114.377 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.98 174.5 10.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.79 1.295 . . . . 0.0 111.467 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.42 -55.34 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -76.74 27.08 0.13 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.383 1.473 . . . . 0.0 112.35 -167.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.2 tp -63.3 -31.28 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 O-C-N 120.325 -1.484 . . . . 0.0 109.87 -171.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -75.17 -18.05 60.26 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.303 0.641 . . . . 0.0 111.538 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -49.23 69.0 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 120.384 1.447 . . . . 0.0 110.505 -172.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -34.37 74.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.556 172.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.57 -14.11 56.14 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.214 0.915 . . . . 0.0 113.005 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -116.41 22.51 12.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.659 1.584 . . . . 0.0 109.093 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -135.82 -65.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.809 0.844 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.57 -27.6 68.74 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 121.234 1.834 . . . . 0.0 112.552 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.24 -49.88 72.38 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.753 0.821 . . . . 0.0 108.901 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.36 -37.9 85.04 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.724 1.21 . . . . 0.0 112.125 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -66.6 -25.49 66.64 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.423 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -34.59 15.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.865 1.212 . . . . 0.0 110.837 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -16.14 62.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -65.4 -18.46 65.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.612 0.765 . . . . 0.0 110.514 171.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.1 mt -101.97 15.69 28.26 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.267 1.827 . . . . 0.0 110.936 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.178 172.161 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 CA-C-O 120.094 -0.281 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -138.9 132.82 31.01 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.653 1.226 . . . . 0.0 108.523 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -116.24 165.65 12.94 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.182 1.793 . . . . 0.0 108.644 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.3 152.92 39.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 167.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.5 ptm -62.58 152.82 33.92 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 123.79 0.681 . . . . 0.0 110.037 170.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -124.78 14.65 8.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.174 1.39 . . . . 0.0 110.823 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 60.78 0.74 Allowed 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.378 1.471 . . . . 0.0 109.922 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.98 88.65 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 -161.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 3.1 10.23 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.276 1.6 p 68.37 167.58 0.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.765 2.826 . . . . 0.0 111.3 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -172.98 -67.35 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.88 1.272 . . . . 0.0 108.521 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -113.17 134.2 54.68 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.702 2.001 . . . . 0.0 106.245 -167.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.82 -20.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.787 -0.571 . . . . 0.0 111.509 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -49.84 -33.77 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 127.024 2.13 . . . . 0.0 112.285 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -54.6 6.12 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.55 -41.12 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 127.083 2.153 . . . . 0.0 112.78 -161.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -62.18 -36.02 80.6 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.841 0.856 . . . . 0.0 109.832 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.6 -27.08 40.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 O-C-N 121.043 -1.036 . . . . 0.0 109.699 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -45.02 17.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.221 1.373 . . . . 0.0 108.518 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.5 -8.55 48.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.013 2.125 . . . . 0.0 112.414 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -67.6 -32.58 73.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.396 0.998 . . . . 0.0 110.221 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 HD22 HE21 ' A' ' 65' ' ' GLN . 2.1 mm? -105.48 -85.75 0.48 Allowed 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.509 0.595 . . . . 0.0 110.229 -165.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.6 35.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.176 1.79 . . . . 0.0 111.182 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.28 147.27 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -170.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.83 88.61 1.03 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.209 -1.814 . . . . 0.0 108.288 165.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 p -66.69 -33.27 75.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -74.06 29.76 0.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.661 1.184 . . . . 0.0 112.066 172.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -150.41 171.1 17.57 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.023 -1.673 . . . . 0.0 110.962 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.472 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.71 -56.55 20.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.068 -0.491 . . . . 0.0 109.708 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -50.75 -37.75 43.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.705 0.684 . . . . 0.0 112.331 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.66 60.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 116.711 -1.614 . . . . 0.0 113.388 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.18 -43.59 10.17 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.488 1.495 . . . . 0.0 109.434 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.36 -54.35 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.127 0.892 . . . . 0.0 110.791 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.46 -25.39 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.731 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -44.35 15.92 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.401 1.455 . . . . 0.0 110.452 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.48 -12.06 59.59 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.649 -0.657 . . . . 0.0 111.477 -167.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.21 -57.11 14.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.066 0.936 . . . . 0.0 109.835 167.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -37.18 83.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -167.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -23.7 4.73 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 125.734 1.614 . . . . 0.0 112.49 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.07 -64.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.11 -33.81 72.63 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.338 1.055 . . . . 0.0 109.295 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.93 -0.63 56.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.943 1.697 . . . . 0.0 111.703 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 170.69 1.29 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.377 1.071 . . . . 0.0 112.621 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -62.52 -56.89 13.76 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.087 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -136.31 178.24 7.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.071 0.949 . . . . 0.0 110.89 -163.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 m -55.62 -61.89 2.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.258 1.423 . . . . 0.0 111.436 173.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -65.04 -46.2 82.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -171.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.44 -20.77 66.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.807 2.043 . . . . 0.0 112.109 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.81 -52.46 43.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 118.391 0.541 . . . . 0.0 110.41 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -84.87 -24.22 28.64 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.184 -0.948 . . . . 0.0 111.6 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.98 -18.72 59.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.643 1.177 . . . . 0.0 113.482 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.67 -33.7 14.96 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.896 -1.127 . . . . 0.0 112.193 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptp -68.46 -31.38 70.63 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.965 1.257 . . . . 0.0 112.408 -174.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.5 -32.09 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.495 1.518 . . . . 0.0 110.525 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.0 m -85.86 1.63 49.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.514 -1.366 . . . . 0.0 111.626 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.67 -46.23 6.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.12 1.768 . . . . 0.0 112.194 166.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.99 2.4 5.72 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 118.963 -2.336 . . . . 0.0 117.19 -167.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -114.36 -33.85 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.789 1.177 . . . . 0.0 110.737 172.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.97 -30.37 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 121.441 -0.787 . . . . 0.0 112.885 -172.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.66 -46.28 63.53 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.198 0.908 . . . . 0.0 108.734 170.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.3 -38.01 76.2 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 121.944 -0.473 . . . . 0.0 111.715 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.2 t -63.92 -5.18 4.07 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.674 1.59 . . . . 0.0 112.07 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 -3.35 6.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.608 1.163 . . . . 0.0 113.028 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.427 HE21 HD22 ' A' ' 22' ' ' LEU . 7.3 pt20 -154.35 -16.47 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.84 59.61 8.47 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 120.019 1.281 . . . . 0.0 113.269 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 178.35 2.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.711 0.804 . . . . 0.0 111.633 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m -113.34 -62.52 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 118.75 -0.643 . . . . 0.0 112.154 170.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -66.97 20.74 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.423 3.089 . . . . 0.0 114.531 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tp -69.26 -23.15 26.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 120.611 -1.306 . . . . 0.0 110.924 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -81.98 -18.51 43.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 118.809 0.731 . . . . 0.0 109.058 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -29.74 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.704 -1.247 . . . . 0.0 110.761 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mp -53.09 -57.17 11.32 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.161 1.384 . . . . 0.0 110.459 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.3 p -52.8 -48.72 66.7 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.98 5.52 11.47 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 118.516 -1.274 . . . . 0.0 111.985 -172.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -107.96 -85.71 0.52 Allowed 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.747 1.619 . . . . 0.0 109.001 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -59.84 -25.06 64.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.39 1.076 . . . . 0.0 113.347 -175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -46.58 32.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.657 -1.277 . . . . 0.0 109.12 176.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.32 -37.43 83.24 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.863 0.865 . . . . 0.0 110.05 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -77.45 -20.61 54.2 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 125.949 1.7 . . . . 0.0 113.305 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -36.92 24.66 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 121.812 2.096 . . . . 0.0 108.903 166.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -1.41 12.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.214 1.406 . . . . 0.0 114.163 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -96.64 -20.72 18.09 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.554 0.615 . . . . 0.0 111.648 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.63 -6.01 54.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.803 -1.811 . . . . 0.0 115.032 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.855 0 C-N-CA 124.031 0.932 . . . . 0.0 111.018 -156.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.695 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -157.87 -46.49 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 O-C-N 121.626 -0.926 . . . . 0.0 108.636 168.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -75.1 169.92 17.06 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.807 0.843 . . . . 0.0 111.18 172.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 57.45 115.98 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.905 2.082 . . . . 0.0 109.945 -166.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -43.77 -38.77 3.39 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.047 0.939 . . . . 0.0 111.423 169.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m 66.9 170.72 0.25 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.518 1.927 . . . . 0.0 109.019 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -86.91 61.62 6.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.842 1.305 . . . . 0.0 109.316 -164.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -98.28 82.81 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 126.776 2.03 . . . . 0.0 107.966 -157.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.1 26.81 8.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p 44.92 35.8 1.66 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.281 2.232 . . . . 0.0 113.871 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -55.62 127.29 29.18 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.075 2.55 . . . . 0.0 105.729 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 m 54.67 110.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 129.876 3.27 . . . . 0.0 115.093 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -20.04 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 O-C-N 120.334 -1.479 . . . . 0.0 114.462 174.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 t -45.32 -43.74 3.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 124.493 1.117 . . . . 0.0 109.224 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -44.74 14.61 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.091 0.957 . . . . 0.0 113.038 178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -41.28 80.35 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.279 0.945 . . . . 0.0 111.179 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -34.21 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 117.268 -1.349 . . . . 0.0 112.449 174.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.88 -5.74 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 120.555 1.525 . . . . 0.0 111.31 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -114.82 -37.87 4.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.949 1.704 . . . . 0.0 110.617 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -69.93 -28.15 65.35 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.142 1.777 . . . . 0.0 111.45 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.14 -18.61 58.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.828 1.251 . . . . 0.0 110.622 171.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.45 -86.66 0.49 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.786 -171.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.88 28.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.511 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.72 149.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.25 1.02 . . . . 0.0 109.689 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.0 127.07 49.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -52.35 -48.55 65.46 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.094 1.358 . . . . 0.0 110.556 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -70.25 31.89 0.04 OUTLIER 'General case' 0 C--O 1.238 0.459 0 C-N-CA 129.852 3.261 . . . . 0.0 113.716 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -140.56 141.22 35.25 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.931 1.292 . . . . 0.0 108.348 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -24.54 16.15 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.46 -40.23 78.05 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 125.1 1.36 . . . . 0.0 111.592 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -58.02 -37.38 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.613 0.244 . . . . 0.0 111.282 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 -29.11 27.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -55.33 -21.96 17.16 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.668 1.587 . . . . 0.0 114.17 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.6 -50.1 3.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.05 -64.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.969 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.39 72.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.958 1.254 . . . . 0.0 111.685 -171.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -20.91 62.26 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 121.615 -0.678 . . . . 0.0 110.86 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -58.65 -59.11 5.92 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.779 0.718 . . . . 0.0 110.823 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -64.23 -27.88 69.36 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.8 -0.563 . . . . 0.0 111.743 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -62.29 -12.32 20.11 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.843 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -80.71 -46.78 21.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 121.46 1.936 . . . . 0.0 106.02 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.95 -10.12 59.45 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.304 1.042 . . . . 0.0 111.506 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -111.24 11.6 21.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.085 1.354 . . . . 0.0 110.653 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 176.7 4.6 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.087 -1.008 . . . . 0.0 112.043 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -85.79 -84.69 0.16 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.396 1.478 . . . . 0.0 109.394 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -79.65 173.7 12.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -69.74 -48.63 58.69 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.468 167.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -55.41 -47.82 75.31 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -76.49 2.58 13.37 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.705 -0.622 . . . . 0.0 111.938 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.14 -62.22 1.57 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 108.699 164.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -70.32 -23.24 62.8 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.051 -1.031 . . . . 0.0 111.631 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.91 -16.53 18.06 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.852 -1.155 . . . . 0.0 113.469 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.99 -24.42 14.93 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 120.578 1.535 . . . . 0.0 112.373 169.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.8 ptp -69.14 -37.05 78.08 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 121.234 1.834 . . . . 0.0 110.947 173.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.01 -14.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-O 121.729 0.775 . . . . 0.0 110.118 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.1 m -78.27 3.61 14.96 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 119.829 -1.795 . . . . 0.0 112.809 167.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.42 -50.8 2.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.577 1.989 . . . . 0.0 113.739 -169.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 6.96 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.978 1.711 . . . . 0.0 115.172 178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -133.77 7.65 3.79 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 126.53 1.932 . . . . 0.0 112.847 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.72 -22.19 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 119.811 -1.806 . . . . 0.0 113.365 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER -111.36 -36.6 5.51 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.292 1.437 . . . . 0.0 110.665 -172.106 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -22.96 66.61 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.333 1.453 . . . . 0.0 111.223 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -64.63 -32.58 74.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.982 2.913 . . . . 0.0 108.162 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.99 -0.71 57.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.209 -0.901 . . . . 0.0 112.358 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' HG3' ' H ' ' A' ' 66' ' ' GLY . 2.5 pt20 -146.03 -85.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.855 1.207 . . . . 0.0 113.269 -167.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' H ' ' HG3' ' A' ' 65' ' ' GLN . . . 120.67 92.89 1.31 Allowed Glycine 0 C--N 1.341 0.845 0 C-N-CA 126.035 1.778 . . . . 0.0 111.653 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.6 176.12 7.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.707 1.603 . . . . 0.0 112.587 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.78 -34.67 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.95 24.35 12.92 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.29 -1.506 . . . . 0.0 110.147 -166.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.1 tp -61.43 -28.28 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 123.077 1.417 . . . . 0.0 111.297 -174.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -75.76 -15.14 60.31 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.989 1.715 . . . . 0.0 111.111 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -40.85 54.08 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 120.492 -1.38 . . . . 0.0 110.493 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.37 -31.76 72.23 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.92 171.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.7 m -59.07 -57.59 12.38 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.524 1.057 . . . . 0.0 110.084 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.38 -16.84 63.04 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.363 1.04 . . . . 0.0 111.818 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -73.25 -72.24 0.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.024 0.829 . . . . 0.0 108.92 167.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -68.32 -21.42 64.75 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 120.015 -1.678 . . . . 0.0 113.958 -164.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -51.56 58.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 119.87 1.214 . . . . 0.0 108.818 170.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.79 -39.81 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.26 1.024 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.37 -18.16 65.19 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.128 0.971 . . . . 0.0 112.686 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.93 -28.36 9.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.708 1.14 . . . . 0.0 111.584 174.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.44 63.27 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 124.529 1.132 . . . . 0.0 111.912 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -65.66 -23.39 66.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.763 1.225 . . . . 0.0 109.768 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.8 mt -83.11 12.8 4.66 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.909 1.284 . . . . 0.0 111.616 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 125.368 1.467 . . . . 0.0 107.391 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.077 0 CA-C-O 118.304 -1.275 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.81 4.16 0.75 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.84 1.32 . . . . 0.0 114.5 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 m -84.51 129.62 34.83 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 119.213 0.915 . . . . 0.0 111.603 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 112.14 3.65 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 171.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.0 ptt? 48.89 13.76 0.06 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.781 2.033 . . . . 0.0 114.997 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m 46.97 23.33 0.26 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 126.29 1.836 . . . . 0.0 114.677 -162.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.8 56.82 7.26 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 125.902 2.763 . . . . 0.0 111.306 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.81 88.56 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 171.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.65 10.33 17.98 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.297 1.8 p 67.41 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 129.018 2.927 . . . . 0.0 112.623 -171.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.388 0.6 OUTLIER 75.24 -162.08 0.06 Allowed 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.856 1.662 . . . . 0.0 110.385 171.52 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -44.46 127.47 5.91 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 131.232 3.813 . . . . 0.0 109.252 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -59.16 -22.34 21.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.83 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -50.02 -31.98 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.543 1.537 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.4 -51.08 6.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.825 1.298 . . . . 0.0 108.78 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.62 -41.83 99.23 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.896 -166.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -50.87 -39.48 54.03 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.574 1.949 . . . . 0.0 110.893 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.13 -34.72 72.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 C-N-CA 125.716 1.606 . . . . 0.0 111.326 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -44.51 17.69 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 120.765 -1.209 . . . . 0.0 109.577 177.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.91 -29.59 70.54 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.122 1.369 . . . . 0.0 112.19 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -67.85 -9.18 42.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.806 1.184 . . . . 0.0 111.567 -177.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.93 -86.71 0.51 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.21 24.81 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.184 1.394 . . . . 0.0 112.017 -171.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.97 135.73 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 119.017 0.826 . . . . 0.0 111.31 -167.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.66 89.17 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.381 1.872 . . . . 0.0 108.115 165.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 p -64.18 -17.0 63.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.825 0.85 . . . . 0.0 111.104 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 4.61 49.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.372 1.869 . . . . 0.0 113.318 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -116.14 158.57 23.02 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.104 1.32 . . . . 0.0 109.099 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -28.02 26.24 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -51.31 -44.29 61.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.761 0.825 . . . . 0.0 111.473 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.18 -49.35 77.34 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.45 -0.781 . . . . 0.0 111.186 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.06 75.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.374 0.67 . . . . 0.0 112.498 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -52.58 -27.69 17.85 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 127.068 2.147 . . . . 0.0 111.349 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -54.22 4.48 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.7 -48.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.999 0.904 . . . . 0.0 111.53 -169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -27.02 68.69 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.309 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.48 -16.63 32.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.375 0.67 . . . . 0.0 110.815 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.98 -52.94 23.59 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.012 1.325 . . . . 0.0 110.027 170.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.78 -37.8 88.74 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.059 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.06 -3.83 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.886 1.274 . . . . 0.0 111.935 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -74.47 -58.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 125.642 1.577 . . . . 0.0 109.194 167.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.8 mt -71.04 -38.72 72.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.301 -0.874 . . . . 0.0 109.539 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.8 10.42 4.14 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.04 1.736 . . . . 0.0 110.851 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.89 170.05 10.42 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.489 1.138 . . . . 0.0 112.82 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -62.26 -57.44 11.39 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 127.359 2.264 . . . . 0.0 112.241 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -147.49 166.93 25.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 m -50.61 -52.03 43.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.835 1.254 . . . . 0.0 112.673 173.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 t -63.11 -42.05 99.49 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -172.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.62 -25.36 41.45 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 122.235 -0.29 . . . . 0.0 110.729 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.34 -70.3 0.15 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -18.74 61.51 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.015 -165.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.82 -53.95 10.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.322 1.449 . . . . 0.0 111.386 171.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -75.68 -14.88 60.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.404 -0.81 . . . . 0.0 112.68 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -75.4 -48.02 24.79 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 120.429 -1.42 . . . . 0.0 110.501 171.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 m -77.5 -13.28 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -74.34 -49.72 21.7 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 165.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.69 -26.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -164.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -26.21 55.84 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.172 -1.58 . . . . 0.0 110.586 177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.5 t -91.1 -30.12 16.91 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.257 1.823 . . . . 0.0 109.8 -169.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.97 -1.26 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 121.701 0.762 . . . . 0.0 111.147 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -132.64 -57.59 0.94 Allowed 'General case' 0 CA--C 1.5 -0.947 0 C-N-CA 126.693 1.997 . . . . 0.0 110.334 -163.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.32 -29.23 63.78 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.064 0.847 . . . . 0.0 110.068 174.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -66.02 -43.08 88.67 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.045 0.841 . . . . 0.0 109.009 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -18.46 40.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.559 1.143 . . . . 0.0 113.086 -174.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -138.23 -23.33 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.462 2.393 . . . . 0.0 117.462 -166.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.56 60.79 8.36 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 119.851 1.205 . . . . 0.0 112.822 -170.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.06 -179.78 7.51 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.891 0.876 . . . . 0.0 110.813 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.67 -51.61 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 123.743 0.817 . . . . 0.0 111.383 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -74.21 13.13 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.437 1.495 . . . . 0.0 113.874 -164.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.75 -25.17 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 120.253 -1.53 . . . . 0.0 112.302 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -22.27 54.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 117.183 -1.389 . . . . 0.0 111.115 178.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.05 -52.2 60.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 121.206 1.821 . . . . 0.0 110.357 -167.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -59.14 -35.11 72.92 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.665 0.386 . . . . 0.0 111.361 172.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.38 1.12 10.3 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.438 1.095 . . . . 0.0 113.151 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -117.46 8.69 13.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.585 0.754 . . . . 0.0 110.019 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -104.5 -65.84 1.0 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.421 1.488 . . . . 0.0 108.899 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -69.48 -16.23 63.42 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.745 0.818 . . . . 0.0 112.29 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -53.54 16.31 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.52 -39.81 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.898 0.856 . . . . 0.0 110.727 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -69.3 -23.69 63.85 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.072 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 ptt85 -74.87 -32.9 62.0 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 122.018 2.19 . . . . 0.0 110.289 168.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 -26.24 60.73 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.633 0.773 . . . . 0.0 111.485 -167.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 t -64.51 -28.33 69.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.504 0.593 . . . . 0.0 110.862 178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.89 -4.82 40.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.893 1.277 . . . . 0.0 113.7 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--O 1.249 1.076 0 C-N-CA 124.531 1.133 . . . . 0.0 111.01 -166.438 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.874 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -75.13 106.84 6.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -129.8 -59.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.999 1.32 . . . . 0.0 109.849 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 114.8 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.721 1.208 . . . . 0.0 108.544 166.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.276 21.0 ptm 46.62 -163.82 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.92 1.288 . . . . 0.0 112.007 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -147.13 39.16 1.0 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.404 -0.81 . . . . 0.0 110.376 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.24 39.18 7.57 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 123.247 1.499 . . . . 0.0 113.266 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.55 56.76 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.971 1.308 . . . . 0.0 109.871 -164.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 18.06 14.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.131 0.973 . . . . 0.0 113.376 -168.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 86.0 m 59.36 148.73 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.963 2.905 . . . . 0.0 113.032 -175.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 p -138.18 -84.81 0.29 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.632 -0.668 . . . . 0.0 110.135 -156.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -113.48 134.03 54.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 129.305 3.042 . . . . 0.0 106.359 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.6 -17.24 21.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-O 116.787 -1.578 . . . . 0.0 113.418 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -44.74 -51.01 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 124.396 1.079 . . . . 0.0 108.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -47.91 18.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.789 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.83 -32.62 67.78 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.788 0.722 . . . . 0.0 112.531 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -59.41 -39.24 82.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.378 1.471 . . . . 0.0 110.208 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.97 -33.66 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 119.731 1.15 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.4 -50.72 11.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.332 -0.855 . . . . 0.0 109.861 -174.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.23 -19.01 63.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.721 1.208 . . . . 0.0 112.421 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.94 -2.23 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 128.083 2.553 . . . . 0.0 111.662 166.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD11 ' NE2' ' A' ' 65' ' ' GLN 0.256 0.0 OUTLIER -125.56 -85.1 0.63 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 111.607 152.676 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -22.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.171 1.388 . . . . 0.0 112.911 -176.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG2' ' H ' ' A' ' 25' ' ' GLU 0.338 3.1 p 43.88 -174.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 130.326 3.45 . . . . 0.0 113.669 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 34.4 mt-10 -126.39 105.97 9.16 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 127.705 2.402 . . . . 0.0 108.079 167.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -53.34 -50.2 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.57 1.148 . . . . 0.0 109.088 164.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 m -73.68 69.89 1.33 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.836 1.654 . . . . 0.0 109.777 170.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 t -159.17 169.06 25.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 164.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -32.1 68.78 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.0 155.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.85 -58.5 7.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.728 0.694 . . . . 0.0 112.08 -167.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -50.7 -38.2 45.64 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.146 0.885 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.47 56.03 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 118.207 -0.901 . . . . 0.0 112.253 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -45.7 -34.71 3.71 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.899 1.68 . . . . 0.0 111.739 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -59.56 2.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.16 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 p -62.51 -40.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 124.099 0.96 . . . . 0.0 112.952 -173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.413 HE21 ' CA ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -63.26 -32.79 74.28 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.166 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' CA ' HE21 ' A' ' 36' ' ' GLN . 3.0 tt -91.68 -30.92 16.04 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.967 -0.458 . . . . 0.0 110.416 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -51.41 -50.95 58.66 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.854 1.262 . . . . 0.0 109.553 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -73.41 -32.41 64.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.142 -1.409 . . . . 0.0 112.432 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.33 -19.98 50.83 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.406 1.457 . . . . 0.0 111.326 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.05 -63.6 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 120.1 1.318 . . . . 0.0 108.544 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.27 -19.46 64.71 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.914 -0.491 . . . . 0.0 110.533 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.35 19.04 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.254 2.222 . . . . 0.0 110.228 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.94 178.76 1.67 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.93 1.348 . . . . 0.0 111.381 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -77.75 -50.83 11.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.526 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.74 170.72 18.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.137 1.375 . . . . 0.0 108.302 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -52.72 -52.66 55.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.423 1.489 . . . . 0.0 111.558 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -62.16 -43.9 97.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -172.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.46 -29.98 65.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.852 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -60.72 3.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.198 0.599 . . . . 0.0 109.715 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.44 -23.92 58.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.034 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.52 -42.94 64.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.746 0.703 . . . . 0.0 110.39 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -45.91 92.13 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 121.286 -0.884 . . . . 0.0 112.004 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.97 -34.49 77.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.799 0.727 . . . . 0.0 111.035 -172.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.55 -22.72 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.5 m -89.9 23.65 2.68 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.071 -1.643 . . . . 0.0 112.831 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.16 -54.86 1.28 Allowed 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.685 -1.259 . . . . 0.0 109.747 -177.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 8.25 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.789 2.436 . . . . 0.0 115.121 -170.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -121.25 -28.16 4.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 127.748 2.419 . . . . 0.0 111.468 177.707 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.09 -56.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 CA-C-N 119.667 1.121 . . . . 0.0 108.656 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.05 -43.0 99.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.193 1.397 . . . . 0.0 108.107 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.84 -36.69 85.16 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.275 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -71.69 -1.22 13.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 123.958 0.786 . . . . 0.0 111.961 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -12.66 12.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.246 1.385 . . . . 0.0 112.609 171.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' NE2' HD11 ' A' ' 22' ' ' LEU . 9.2 pt20 -149.66 -24.01 0.27 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 -166.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.98 55.53 25.47 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.767 1.621 . . . . 0.0 111.724 -170.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.76 168.58 12.83 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.174 1.389 . . . . 0.0 109.504 171.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.5 -45.55 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -163.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.14 19.0 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.715 1.606 . . . . 0.0 113.145 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -63.89 -30.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 120.5 -1.375 . . . . 0.0 113.011 -162.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.29 -18.68 45.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.631 1.573 . . . . 0.0 111.418 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -63.21 -53.12 58.12 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.66 1.118 . . . . 0.0 109.405 -171.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -31.63 65.06 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 118.587 -0.721 . . . . 0.0 112.824 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.67 -51.7 68.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.033 0.833 . . . . 0.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.99 -6.45 47.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.974 0.51 . . . . 0.0 111.925 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.31 -73.36 0.36 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 166.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -59.7 -34.61 73.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -170.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.63 -29.23 69.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.422 1.01 . . . . 0.0 111.618 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.77 -36.93 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.346 0.593 . . . . 0.0 110.229 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.21 -24.7 67.77 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.894 0.878 . . . . 0.0 112.447 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -43.98 16.96 Favored 'General case' 0 CA--C 1.523 -0.076 0 CA-C-N 119.079 0.854 . . . . 0.0 110.881 167.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.73 70.29 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.464 -0.772 . . . . 0.0 112.716 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -65.27 -18.79 65.59 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.559 1.143 . . . . 0.0 111.09 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -115.43 -5.96 12.29 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.05 -1.656 . . . . 0.0 115.121 -170.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 128.3 2.64 . . . . 0.0 111.533 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.591 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -85.4 94.87 9.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.445 1.498 . . . . 0.0 109.234 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -74.73 132.8 41.93 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.623 0.769 . . . . 0.0 110.892 -175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 5' ' ' MET . 0.0 OUTLIER -123.47 -46.76 2.01 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 117.75 -1.119 . . . . 0.0 113.388 -177.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.411 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -161.4 108.95 1.46 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 119.564 1.074 . . . . 0.0 110.214 -171.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -122.77 36.45 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.173 0.989 . . . . 0.0 111.204 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.79 48.83 20.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 124.155 1.931 . . . . 0.0 112.176 167.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.32 78.88 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 113.492 -1.686 . . . . 0.0 107.437 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.45 23.76 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.9 m 58.54 149.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.394 2.278 . . . . 0.0 112.814 -167.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -165.58 156.86 14.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.833 1.653 . . . . 0.0 106.936 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t 49.62 174.55 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.313 2.245 . . . . 0.0 110.543 -166.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.94 -12.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 O-C-N 120.037 -1.665 . . . . 0.0 109.969 165.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -55.45 -34.11 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.203 1.001 . . . . 0.0 109.35 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 -42.85 12.25 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 172.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.1 -34.63 78.5 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 112.275 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -23.28 65.02 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.545 -0.722 . . . . 0.0 112.069 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.97 -27.84 40.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 C-N-CA 124.252 1.021 . . . . 0.0 109.684 167.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.13 -48.89 7.69 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.869 -1.769 . . . . 0.0 110.116 -169.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.41 -21.12 66.1 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.346 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -71.2 -24.74 62.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.12 1.327 . . . . 0.0 111.638 173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -117.84 8.34 12.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.146 1.339 . . . . 0.0 113.614 -175.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 71.72 42.92 0.61 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.901 2.08 . . . . 0.0 109.724 160.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -47.66 148.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.929 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.06 82.53 0.97 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 p -62.65 -10.83 13.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.861 1.664 . . . . 0.0 112.181 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 m -114.45 14.3 17.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.538 2.335 . . . . 0.0 111.671 -173.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.18 174.67 10.27 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.311 1.444 . . . . 0.0 109.944 -165.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.94 62.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.676 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -46.3 88.22 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 119.607 -0.837 . . . . 0.0 113.204 -166.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -55.11 -33.57 62.95 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.699 -0.626 . . . . 0.0 111.001 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.45 -22.02 30.48 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -54.48 -24.02 18.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 111.509 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.9 t -92.67 -63.02 1.28 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.255 1.022 . . . . 0.0 110.253 172.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.69 -32.04 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 117.882 -1.056 . . . . 0.0 112.352 -153.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -37.98 85.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.748 1.158 . . . . 0.0 109.774 171.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.88 -23.49 48.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.739 1.215 . . . . 0.0 111.621 -170.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.83 -50.77 72.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.819 1.248 . . . . 0.0 109.931 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -59.99 -41.86 92.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.94 0.876 . . . . 0.0 110.01 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.93 -9.43 54.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.356 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mm -73.3 -63.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.292 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.07 -25.37 68.34 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -168.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.33 -60.64 1.97 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.25 -153.81 0.03 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.157 0.983 . . . . 0.0 113.589 -173.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -132.81 -54.97 0.94 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.494 1.917 . . . . 0.0 106.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.31 168.11 12.45 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.243 1.817 . . . . 0.0 106.43 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -59.76 -50.84 72.24 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.054 -0.404 . . . . 0.0 110.812 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -57.79 -48.82 78.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.57 -0.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.149 1.379 . . . . 0.0 111.921 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.75 -74.84 0.18 Allowed 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.223 -1.548 . . . . 0.0 108.325 161.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -69.78 -22.91 63.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 121.876 -0.515 . . . . 0.0 111.945 -170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.39 -30.14 51.04 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.101 -0.999 . . . . 0.0 111.964 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.195 0.907 . . . . 0.0 111.326 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.7 ptp -66.79 -35.4 79.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.132 0.424 . . . . 0.0 111.078 -172.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.56 -14.87 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.37 0.668 . . . . 0.0 110.434 176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.1 m -107.81 22.33 16.12 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.125 1.77 . . . . 0.0 111.629 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -46.38 1.79 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.444 1.498 . . . . 0.0 107.391 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.27 8.57 2.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -165.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -123.61 -43.3 2.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.913 1.685 . . . . 0.0 110.318 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.33 -45.69 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 118.945 0.793 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -47.03 88.26 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 117.901 0.318 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.78 -32.77 67.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.261 0.624 . . . . 0.0 109.781 -174.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -75.34 3.69 8.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 123.338 0.655 . . . . 0.0 112.076 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -14.71 13.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 120.687 -1.258 . . . . 0.0 111.443 167.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.3 -23.87 0.17 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 119.654 3.205 . . . . 0.0 119.654 -159.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.53 64.26 4.14 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.617 1.553 . . . . 0.0 113.5 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.27 -169.33 2.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.829 -0.806 . . . . 0.0 112.166 174.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 70' ' ' ILE . 5.1 p -129.77 -51.12 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.541 0 C-N-CA 124.563 1.145 . . . . 0.0 111.09 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 14.18 1.95 Allowed 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.591 1.182 . . . . 0.0 108.224 -157.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' A' ' 68' ' ' VAL . 6.5 tp -60.75 -31.7 50.04 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 120.735 -1.228 . . . . 0.0 110.968 -170.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.15 -27.67 63.72 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.323 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.39 -49.73 70.42 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 118.725 0.693 . . . . 0.0 110.539 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -27.6 68.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.937 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.7 m -59.73 -51.48 69.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.873 0.761 . . . . 0.0 109.104 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -77.63 -6.72 54.77 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.707 0.803 . . . . 0.0 112.864 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -71.48 -69.87 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 156.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -69.11 -24.59 64.14 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -159.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -39.16 77.43 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 119.74 1.154 . . . . 0.0 111.413 173.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.52 -40.89 56.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.397 0.617 . . . . 0.0 109.729 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -65.97 -11.12 45.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.735 1.214 . . . . 0.0 112.858 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -34.27 8.84 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 120.096 1.316 . . . . 0.0 112.184 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.56 71.46 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.295 0.638 . . . . 0.0 112.073 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 t -69.69 -9.73 55.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.718 1.607 . . . . 0.0 111.535 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 65.9 mt -110.27 15.86 22.06 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.744 1.617 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 154.646 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.031 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . 0.298 2.8 p-80 50.99 -163.97 0.05 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.833 2.053 . . . . 0.0 110.992 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -137.42 121.33 17.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.3 tttt 75.51 -75.88 0.07 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.963 -1.926 . . . . 0.0 112.755 -177.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm 174.21 169.65 0.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 131.229 3.812 . . . . 0.0 104.522 -168.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -136.54 43.93 2.42 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.377 0.608 . . . . 0.0 109.398 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 56.73 37.38 28.76 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 123.748 1.737 . . . . 0.0 112.513 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.48 81.28 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.71 1.2 20.98 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 125.2 1.4 . . . . 0.0 112.119 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.08 16.84 5.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.185 1.394 . . . . 0.0 113.205 173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 12' ' ' SER 0.301 4.3 t 43.71 -86.52 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.87 3.268 . . . . 0.0 114.08 155.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.469 ' H ' HG22 ' A' ' 11' ' ' THR . 67.8 m -139.0 143.94 38.69 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 129.506 3.123 . . . . 0.0 107.505 -164.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.741 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.08 -34.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 119.635 1.107 . . . . 0.0 111.667 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -55.17 8.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 119.94 -1.725 . . . . 0.0 107.051 175.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.73 -37.13 85.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 112.61 -2.086 . . . . 0.0 111.696 -160.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -54.54 -39.31 67.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 128.735 2.814 . . . . 0.0 111.555 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.18 -31.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 125.819 1.648 . . . . 0.0 111.29 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.39 -48.23 11.38 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.552 -0.718 . . . . 0.0 109.435 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -66.1 -16.64 64.12 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.983 0.913 . . . . 0.0 111.998 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -15.59 31.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 120.05 1.295 . . . . 0.0 112.05 174.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 HE21 ' A' ' 65' ' ' GLN . 0.7 OUTLIER -116.29 -85.94 0.62 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.927 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.6 18.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.953 0.901 . . . . 0.0 113.323 -163.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.0 p -52.58 162.63 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.789 -1.194 . . . . 0.0 111.595 -172.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 27' ' ' SER . 28.1 mt-10 -121.91 116.94 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.319 1.047 . . . . 0.0 111.557 -173.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -69.47 30.6 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.068 1.747 . . . . 0.0 112.637 164.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 25' ' ' GLU . 6.8 t -140.4 10.39 2.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.413 1.885 . . . . 0.0 110.84 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -134.09 145.16 49.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.989 -1.07 . . . . 0.0 108.654 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.64 -29.96 4.92 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.49 -51.16 63.67 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.051 1.34 . . . . 0.0 111.47 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -49.74 -50.04 45.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.016 0.826 . . . . 0.0 110.912 176.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.92 76.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.84 -39.22 11.58 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.437 1.495 . . . . 0.0 110.248 -177.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.2 -49.59 16.76 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.444 0.465 . . . . 0.0 110.773 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.21 -50.41 68.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 124.339 1.055 . . . . 0.0 111.5 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -43.46 98.84 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.79 -32.84 74.61 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.725 -177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -56.73 -51.96 66.83 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.425 1.011 . . . . 0.0 111.065 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -68.17 -32.45 72.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.464 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.77 -7.37 26.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.577 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.19 -63.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 121.369 1.895 . . . . 0.0 107.423 166.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.45 -22.04 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.43 0.692 . . . . 0.0 110.61 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.8 17.21 23.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.41 1.884 . . . . 0.0 110.83 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.04 -176.81 1.2 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.593 1.187 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -71.06 -51.17 26.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.529 1.932 . . . . 0.0 112.253 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.38 173.04 12.63 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 129.177 2.991 . . . . 0.0 109.116 -166.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -55.39 -55.59 29.83 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.645 1.178 . . . . 0.0 112.344 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 t -68.89 -46.91 67.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -166.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.26 3.88 16.68 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.181 0.515 . . . . 0.0 110.872 -174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.63 1.37 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 164.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -69.78 -27.06 64.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.89 -0.506 . . . . 0.0 111.795 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.98 -9.38 21.17 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.954 -1.092 . . . . 0.0 113.267 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -78.48 -40.21 36.12 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.832 1.196 . . . . 0.0 112.669 163.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.5 ptp -69.27 -38.51 78.41 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.717 -1.24 . . . . 0.0 110.711 -170.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.71 -16.51 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 126.809 2.044 . . . . 0.0 114.401 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -85.44 -48.96 8.49 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 126.015 1.726 . . . . 0.0 109.406 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 1.4 pp -62.39 -43.89 97.76 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.284 0.947 . . . . 0.0 112.157 -176.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -12.48 8.67 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -172.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.6 t -98.45 -50.45 4.3 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 125.493 1.517 . . . . 0.0 108.188 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 p -57.94 -41.23 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.636 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -58.21 8.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 119.041 0.837 . . . . 0.0 109.656 176.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.1 -21.3 66.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.932 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -80.57 -1.56 42.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.174 0.99 . . . . 0.0 112.168 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -9.43 8.58 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 120.161 1.346 . . . . 0.0 112.934 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.428 HE21 HD21 ' A' ' 22' ' ' LEU . 8.9 pt20 -150.93 -30.56 0.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -173.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.07 63.52 3.94 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 118.48 0.582 . . . . 0.0 112.134 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.95 19.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.508 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.6 m -104.09 -59.01 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.841 0.746 . . . . 0.0 112.356 173.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -74.02 23.91 0.08 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.883 2.073 . . . . 0.0 114.149 -167.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.42 -26.77 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 120.542 -1.349 . . . . 0.0 112.097 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -5.75 58.79 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.712 0.805 . . . . 0.0 112.525 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -75.25 -59.37 2.77 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 119.901 1.228 . . . . 0.0 109.155 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -21.73 4.35 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.448 1.099 . . . . 0.0 113.651 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.37 -47.49 81.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.773 0.715 . . . . 0.0 109.855 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -67.37 -27.08 66.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.77 0.713 . . . . 0.0 110.63 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -63.7 -85.2 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.972 0.805 . . . . 0.0 109.304 160.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -62.39 -32.24 73.02 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.041 -1.662 . . . . 0.0 114.067 -159.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -48.89 52.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.34 -31.84 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.607 -0.683 . . . . 0.0 110.372 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -18.8 63.98 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.261 -0.899 . . . . 0.0 112.931 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -88.63 -37.13 15.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 119.624 1.102 . . . . 0.0 111.16 164.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -21.83 65.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.333 1.053 . . . . 0.0 113.382 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -61.11 -25.61 67.09 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.18 0.992 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.4 mt -92.24 0.49 57.46 Favored 'General case' 0 N--CA 1.457 -0.107 0 O-C-N 121.167 -0.958 . . . . 0.0 113.031 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.488 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -155.07 106.97 2.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -147.98 143.66 27.44 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.34 117.69 1.32 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 127.173 2.189 . . . . 0.0 111.546 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 ptt? 44.74 21.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.592 1.557 . . . . 0.0 114.51 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 43.32 24.21 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.304 2.241 . . . . 0.0 113.785 -169.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 t0 55.16 36.02 26.08 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.51 82.34 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -0.16 35.81 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 175.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 1.6 p 61.96 175.45 0.13 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.655 2.782 . . . . 0.0 112.372 -173.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -163.14 -53.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -154.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.53 95.43 4.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -154.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -29.66 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.936 -166.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.9 -51.2 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 124.375 1.047 . . . . 0.0 108.379 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -41.99 76.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.909 2.484 . . . . 0.0 111.895 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -47.98 67.21 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.842 0.857 . . . . 0.0 110.849 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -39.63 56.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.815 1.646 . . . . 0.0 111.782 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 t -53.82 -38.96 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 119.569 1.077 . . . . 0.0 112.28 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.4 mt -85.64 -43.67 13.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.94 -28.75 67.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.687 1.195 . . . . 0.0 111.035 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -27.9 43.03 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 119.349 0.977 . . . . 0.0 111.75 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' CD2' HE21 ' A' ' 65' ' ' GLN . 0.9 OUTLIER -103.11 -81.66 0.5 Allowed 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.85 6.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -165.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -45.35 135.71 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 124.587 1.155 . . . . 0.0 112.13 -164.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -93.15 115.21 27.85 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 p -55.47 -33.64 63.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.577 0.751 . . . . 0.0 110.27 164.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -58.51 -7.47 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.44 2.296 . . . . 0.0 114.175 171.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.9 t -118.22 147.06 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.446 1.475 . . . . 0.0 108.351 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -26.54 5.04 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.013 168.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.69 -45.31 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.274 1.03 . . . . 0.0 111.179 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -51.37 -56.0 15.5 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.33 73.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.261 1.024 . . . . 0.0 113.571 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.95 -43.94 60.34 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 125.596 1.558 . . . . 0.0 108.265 176.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -4.93 58.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.668 -172.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.24 -51.94 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -54.96 -40.81 70.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 177.195 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' N ' HE21 ' A' ' 36' ' ' GLN . 6.4 tp -78.6 -11.24 59.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.608 1.163 . . . . 0.0 112.249 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -71.62 -45.61 61.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.42 -0.8 . . . . 0.0 109.047 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.86 -46.9 86.67 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -8.21 1.8 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.858 1.663 . . . . 0.0 114.052 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.32 -49.37 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.669 1.122 . . . . 0.0 108.842 168.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.8 -31.87 72.78 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.763 1.625 . . . . 0.0 109.792 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -99.35 13.31 33.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.972 1.309 . . . . 0.0 111.265 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 156.52 38.87 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.678 0.391 . . . . 0.0 110.792 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -61.09 -46.1 92.04 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 123.966 0.906 . . . . 0.0 112.068 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -143.54 -176.25 4.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 109.033 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -64.53 -55.72 18.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.31 1.444 . . . . 0.0 112.087 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t -55.49 -47.97 75.33 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.25 -17.98 64.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.622 1.569 . . . . 0.0 112.625 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.53 -72.2 0.19 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.328 0.967 . . . . 0.0 109.557 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -67.6 -20.84 65.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.264 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 -21.7 2.09 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -103.63 -27.61 12.21 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 119.399 1.0 . . . . 0.0 113.208 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ptp -64.0 -40.86 97.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.222 1.374 . . . . 0.0 109.945 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.61 -6.52 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 125.163 1.385 . . . . 0.0 110.829 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -109.14 8.73 26.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.543 1.137 . . . . 0.0 114.063 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.41 -39.28 3.19 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.747 1.612 . . . . 0.0 109.02 176.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 5.31 0.38 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 127.418 2.287 . . . . 0.0 115.655 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.79 -3.87 4.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 112.521 172.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.16 -42.99 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 120.379 1.445 . . . . 0.0 107.353 159.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.7 -52.71 63.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.97 -13.53 62.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -168.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -94.51 -2.09 52.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.443 1.097 . . . . 0.0 110.775 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.28 -35.53 6.26 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.631 1.172 . . . . 0.0 110.871 169.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.42 HE21 ' CD2' ' A' ' 22' ' ' LEU . 8.7 pt20 -133.6 -18.18 2.2 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 117.33 2.345 . . . . 0.0 117.33 -167.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.83 56.15 26.71 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.691 1.132 . . . . 0.0 114.843 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 177.12 3.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.047 0.939 . . . . 0.0 112.802 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 70' ' ' ILE . 1.6 p -123.49 -47.21 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.956 0 C-N-CA 126.01 1.724 . . . . 0.0 111.406 176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.31 21.1 1.48 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.029 -159.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' H ' ' C ' ' A' ' 68' ' ' VAL . 8.8 mm -46.41 -48.62 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.786 164.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.49 -14.53 62.56 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.172 -166.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -70.91 0.22 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.124 0.969 . . . . 0.0 108.937 174.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -32.83 13.25 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.46 1.104 . . . . 0.0 113.087 -176.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 86.0 m -54.89 -56.98 13.56 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.735 1.214 . . . . 0.0 108.982 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.23 -11.3 59.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.995 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -88.1 -62.79 1.41 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.35 1.432 . . . . 0.0 108.268 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -66.96 -22.68 65.92 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.2 -1.562 . . . . 0.0 113.32 -173.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.62 -23.98 45.59 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.722 0.692 . . . . 0.0 112.041 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -36.01 12.25 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 118.425 0.557 . . . . 0.0 110.539 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.62 -26.39 21.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.238 1.415 . . . . 0.0 111.367 173.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -37.93 11.33 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.733 0.697 . . . . 0.0 112.068 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.75 66.84 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.193 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -73.81 0.45 13.13 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.426 1.09 . . . . 0.0 110.223 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.17 16.0 25.53 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.416 2.286 . . . . 0.0 110.592 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 115.918 -1.991 . . . . 0.0 109.228 -178.86 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.779 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 55.51 -172.14 0.06 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.709 1.203 . . . . 0.0 111.97 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 51.93 -176.51 0.02 OUTLIER 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.172 1.389 . . . . 0.0 113.784 -172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.23 -28.29 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.159 1.784 . . . . 0.0 112.406 161.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.58 -8.74 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 48.19 31.86 2.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.532 1.933 . . . . 0.0 114.722 171.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.98 54.39 6.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.249 2.22 . . . . 0.0 109.55 172.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.89 82.98 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 O-C-N 120.514 -1.366 . . . . 0.0 108.713 -169.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -3.93 20.42 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 113.856 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 m 45.72 69.51 0.45 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 125.633 1.833 . . . . 0.0 108.615 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -103.66 152.62 21.57 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.662 2.385 . . . . 0.0 105.861 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 t 52.2 -172.36 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 124.138 1.923 . . . . 0.0 109.365 -153.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.97 -12.2 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 C-N-CA 127.965 2.506 . . . . 0.0 108.067 169.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.72 -27.88 41.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.367 0.531 . . . . 0.0 110.735 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -61.8 1.77 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 168.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -42.32 73.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -164.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -53.24 -40.13 64.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.495 1.118 . . . . 0.0 111.152 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.09 -22.63 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.225 1.01 . . . . 0.0 111.363 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.52 -38.62 12.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 121.146 1.794 . . . . 0.0 110.214 175.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.13 -28.31 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.154 1.781 . . . . 0.0 111.51 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.86 -23.77 54.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.734 2.014 . . . . 0.0 109.757 171.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -132.33 11.72 4.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 114.703 -170.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.85 46.11 5.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.65 1.691 . . . . 0.0 111.202 161.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -44.05 161.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 111.103 -2.771 . . . . 0.0 111.216 162.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.28 104.2 11.84 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -168.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -57.91 -23.5 53.58 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 m -83.85 8.6 14.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.67 1.588 . . . . 0.0 112.959 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -124.1 153.17 41.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.646 1.566 . . . . 0.0 110.586 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -29.3 10.69 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.352 172.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.6 -45.43 70.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.224 1.009 . . . . 0.0 111.641 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -66.0 -24.26 66.74 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.946 -1.096 . . . . 0.0 112.49 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.69 -35.75 24.26 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.058 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -49.7 -24.04 2.08 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.394 2.277 . . . . 0.0 113.825 -171.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -54.09 2.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.761 0.663 . . . . 0.0 111.192 172.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.54 -44.18 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.961 0.904 . . . . 0.0 112.51 -175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -28.86 27.39 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -27.15 61.89 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.785 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -54.72 -60.98 2.62 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.498 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -63.04 -32.78 74.23 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.069 0.849 . . . . 0.0 110.973 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -11.83 19.83 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.67 -46.73 30.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 121.963 2.165 . . . . 0.0 106.127 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -72.35 -23.07 61.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.247 1.819 . . . . 0.0 110.574 -176.437 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.28 11.33 36.88 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 110.298 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 166.67 22.36 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.025 -1.047 . . . . 0.0 111.372 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -81.52 -51.88 7.81 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.875 1.27 . . . . 0.0 111.441 -174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.16 -176.59 2.94 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.717 1.607 . . . . 0.0 108.082 -169.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -73.71 -61.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.603 -0.685 . . . . 0.0 109.189 165.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 6.8 t -56.72 -43.32 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.178 0.514 . . . . 0.0 110.38 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.08 -15.66 63.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.225 1.01 . . . . 0.0 111.751 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.76 -58.3 3.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.883 0.873 . . . . 0.0 110.101 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 48' ' ' THR . 13.2 p90 -68.22 -29.48 68.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.364 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.58 -24.05 2.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.459 1.504 . . . . 0.0 114.064 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -28.5 13.79 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 111.626 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 ptp -70.28 -35.66 73.88 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.016 -1.677 . . . . 0.0 111.679 172.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.0 m -69.28 -3.73 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 120.665 -1.272 . . . . 0.0 113.668 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -115.87 12.99 15.96 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 131.282 3.833 . . . . 0.0 112.786 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 pp -121.97 -37.51 2.84 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.729 1.212 . . . . 0.0 111.581 169.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.14 -31.61 70.25 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 118.945 0.793 . . . . 0.0 111.773 -172.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -69.38 -43.05 74.32 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.03 -37.68 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 128.947 2.899 . . . . 0.0 111.38 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 21.3 mt -70.59 -63.5 1.08 Allowed 'General case' 0 CA--C 1.485 -1.539 0 C-N-CA 127.454 2.302 . . . . 0.0 106.176 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.33 -24.99 21.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.799 1.181 . . . . 0.0 111.537 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -77.3 -0.86 27.04 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -22.71 4.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.684 2.393 . . . . 0.0 111.98 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 17.4 pt20 -148.25 -15.34 0.34 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -161.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.61 65.9 3.19 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 120.99 1.723 . . . . 0.0 114.149 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.61 149.03 22.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.65 1.18 . . . . 0.0 110.994 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.69 -50.09 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 112.49 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.99 22.45 1.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.563 1.545 . . . . 0.0 112.04 -163.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -73.09 -11.65 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 O-C-N 120.987 -1.071 . . . . 0.0 112.373 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.2 -5.68 46.47 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.99 0.916 . . . . 0.0 112.25 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -56.89 5.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.572 1.533 . . . . 0.0 109.507 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -51.71 -33.97 36.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 117.884 -1.055 . . . . 0.0 111.918 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.05 -55.6 29.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.367 0.985 . . . . 0.0 110.422 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -73.19 -4.53 33.52 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.031 0.932 . . . . 0.0 111.633 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -96.27 -60.66 1.57 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.227 1.011 . . . . 0.0 109.313 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -64.84 -31.09 72.16 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.723 -1.236 . . . . 0.0 112.655 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.03 -19.61 65.72 Favored 'General case' 0 C--O 1.226 -0.155 0 O-C-N 121.33 -0.856 . . . . 0.0 111.66 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -31.01 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.818 1.247 . . . . 0.0 110.856 -175.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.06 -29.42 69.72 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.705 0.802 . . . . 0.0 110.578 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 -40.39 26.89 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.746 0.703 . . . . 0.0 111.631 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 126.16 1.784 . . . . 0.0 113.443 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -84.05 -9.94 58.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.886 0.874 . . . . 0.0 110.467 -170.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.6 mt -102.26 9.13 40.21 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.938 0.895 . . . . 0.0 110.998 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.168 -1.396 . . . . 0.0 109.303 -175.175 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.43 168.62 21.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m 63.19 -85.09 0.02 OUTLIER 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 110.83 -172.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -148.98 -154.9 0.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.363 0.983 . . . . 0.0 109.255 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.69 128.43 35.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.128 1.371 . . . . 0.0 108.646 165.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -95.49 31.71 1.94 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.457 0.703 . . . . 0.0 112.241 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 71.16 44.59 0.55 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.421 2.288 . . . . 0.0 111.98 178.227 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.19 59.61 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 120.589 -1.319 . . . . 0.0 113.043 -163.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -120.94 40.37 3.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.84 -1.162 . . . . 0.0 113.737 -167.276 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.27 0.6 OUTLIER 67.34 102.15 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.385 1.874 . . . . 0.0 112.844 169.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -83.96 -70.32 0.58 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.604 1.562 . . . . 0.0 109.327 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -139.32 128.5 23.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.654 2.382 . . . . 0.0 106.757 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.4 -21.26 20.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.229 -172.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 t -47.05 -38.44 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 127.048 2.139 . . . . 0.0 111.648 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.34 -50.49 6.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 118.35 0.523 . . . . 0.0 110.291 175.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.95 -44.13 74.05 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 111.169 -171.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.97 -31.38 71.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 117.849 -1.072 . . . . 0.0 112.367 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.13 -37.96 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 119.63 1.104 . . . . 0.0 109.651 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -51.87 10.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -71.24 -16.15 62.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.273 1.429 . . . . 0.0 112.369 -172.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.35 -23.89 62.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.77 1.628 . . . . 0.0 110.78 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.56 -87.22 0.62 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.917 -160.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.92 32.22 0.0 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.301 1.441 . . . . 0.0 112.24 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.27 155.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.691 1.234 . . . . 0.0 111.446 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -106.21 104.3 13.97 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -50.79 13.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.187 0.995 . . . . 0.0 109.024 162.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 60.48 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.649 2.38 . . . . 0.0 112.024 171.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -161.18 167.22 26.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.42 -1.425 . . . . 0.0 109.096 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -26.37 68.41 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 121.67 -0.644 . . . . 0.0 110.796 162.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.92 -55.33 35.9 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.686 -171.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -49.91 -36.96 29.52 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.936 0.789 . . . . 0.0 111.841 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.34 50.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.075 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -49.98 -36.75 29.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.386 1.075 . . . . 0.0 110.59 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -53.29 7.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.583 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -77.15 -4.09 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.75 -32.17 11.52 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 168.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -88.63 -29.8 19.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.507 -166.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.16 -48.4 70.93 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 118.939 0.79 . . . . 0.0 110.936 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -62.06 -39.5 92.58 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 123.414 0.685 . . . . 0.0 109.639 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.448 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 82.3 m-20 -66.56 -4.36 8.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.213 -173.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.9 mm -78.52 -46.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.489 ' H ' HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -73.15 -28.87 62.48 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.673 1.589 . . . . 0.0 110.099 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 15.98 20.42 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.624 1.57 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -178.25 2.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 122.108 0.956 . . . . 0.0 109.962 171.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -76.37 -57.46 3.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.798 -0.564 . . . . 0.0 110.821 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.95 173.38 11.69 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -161.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.4 m -56.76 -56.85 16.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.325 1.05 . . . . 0.0 109.984 -177.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 t -60.36 -54.51 44.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.02 -18.0 63.9 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.711 1.204 . . . . 0.0 111.415 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.91 -61.81 1.7 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.911 0.778 . . . . 0.0 110.038 174.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -72.74 -24.12 60.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.508 -0.745 . . . . 0.0 110.591 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.44 -12.91 6.91 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -99.79 -25.72 14.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.52 -1.228 . . . . 0.0 114.108 168.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -68.61 -36.87 79.24 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.722 2.055 . . . . 0.0 111.305 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.28 -30.63 44.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 124.131 0.972 . . . . 0.0 111.002 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.4 m -86.84 7.9 25.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.359 1.864 . . . . 0.0 111.71 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -45.39 3.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.656 1.982 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.56 6.43 0.32 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.778 2.031 . . . . 0.0 114.21 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -126.1 -7.93 6.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.319 1.848 . . . . 0.0 111.56 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.63 -59.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -39.3 70.45 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -167.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.29 -36.83 71.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 109.901 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -72.92 18.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.342 1.457 . . . . 0.0 111.337 175.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.67 0.76 1.28 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 119.996 -1.69 . . . . 0.0 113.388 169.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -151.96 -27.66 0.18 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.318 -166.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.06 57.44 14.78 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 120.9 1.682 . . . . 0.0 111.848 -174.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.4 151.24 38.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 121.939 -0.741 . . . . 0.0 110.327 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -84.13 -49.59 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 123.356 0.41 . . . . 0.0 109.988 167.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.48 19.11 0.64 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -159.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.59 -30.56 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 O-C-N 120.577 -1.327 . . . . 0.0 112.141 -172.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -20.77 60.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.388 177.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.66 -53.05 57.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.187 1.358 . . . . 0.0 110.196 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -30.57 71.7 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.979 177.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.9 m -62.78 -43.98 97.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.705 0.684 . . . . 0.0 110.571 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.11 -13.43 60.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.637 0.653 . . . . 0.0 112.653 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.22 -72.05 0.32 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 163.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -64.8 -35.61 81.64 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -165.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -38.38 89.91 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.995 1.27 . . . . 0.0 108.588 176.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -34.95 59.67 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.257 0.551 . . . . 0.0 111.957 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.34 -29.11 61.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.32 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -25.96 67.61 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 120.781 -1.2 . . . . 0.0 111.4 168.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -0.58 56.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.603 2.361 . . . . 0.0 114.061 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 t -96.93 -27.42 14.66 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.179 1.354 . . . . 0.0 111.186 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.41 -4.0 36.94 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? . . . . . 0 C--O 1.249 1.029 0 CA-C-O 116.669 -1.634 . . . . 0.0 109.809 -176.659 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.963 0 CA-C-O 119.379 -0.678 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 44.92 37.83 2.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.327 1.851 . . . . 0.0 112.6 176.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.0 177.55 8.13 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.691 1.596 . . . . 0.0 107.816 162.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttm 59.51 168.57 0.07 Allowed 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 128.914 2.886 . . . . 0.0 112.305 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.7 ptm -67.87 110.83 4.01 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.031 -2.35 . . . . 0.0 109.193 159.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 m -63.06 176.78 0.68 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 153.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -102.82 76.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 119.632 -1.917 . . . . 0.0 108.905 -150.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.13 25.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 129.153 2.981 . . . . 0.0 115.885 -162.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 10.82 0.82 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 -165.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.313 26.3 p 45.71 65.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 126.234 1.813 . . . . 0.0 113.762 166.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.529 HG21 ' H ' ' A' ' 12' ' ' SER 0.272 9.7 t -123.26 -79.92 0.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.993 -158.046 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.529 ' H ' HG21 ' A' ' 11' ' ' THR . 4.5 m -48.36 106.03 0.09 Allowed 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.212 2.605 . . . . 0.0 109.154 171.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.92 -23.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 120.242 1.383 . . . . 0.0 112.876 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.09 -35.88 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 122.883 0.473 . . . . 0.0 110.555 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -19.82 33.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.505 1.048 . . . . 0.0 110.929 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mt -99.99 -39.83 7.95 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.588 1.955 . . . . 0.0 112.983 -167.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -46.05 79.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.922 1.689 . . . . 0.0 111.402 176.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.295 0.0 OUTLIER -44.81 -17.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 120.977 3.695 . . . . 0.0 120.977 160.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.6 -50.32 3.04 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -172.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.5 -18.23 65.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.09 0.956 . . . . 0.0 112.077 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -49.84 -33.04 15.68 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.699 1.2 . . . . 0.0 112.79 166.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD21 HE21 ' A' ' 65' ' ' GLN . 2.9 mm? -110.8 -85.66 0.55 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.188 -162.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.823 1.649 . . . . 0.0 111.383 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.22 148.51 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 122.163 0.982 . . . . 0.0 110.749 -169.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -108.48 108.5 19.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 p -59.29 -19.73 48.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 122.914 0.486 . . . . 0.0 111.727 166.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -71.48 -3.48 21.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.282 1.433 . . . . 0.0 112.999 171.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -120.56 151.27 39.63 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.214 1.37 . . . . 0.0 108.387 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.62 15.13 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.16 -49.09 70.08 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.572 1.149 . . . . 0.0 111.647 -175.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -51.67 -49.79 61.68 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.953 1.252 . . . . 0.0 110.897 173.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -35.83 76.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.061 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -52.06 -20.93 2.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.814 2.446 . . . . 0.0 112.645 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -86.11 -65.27 1.03 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.177 1.791 . . . . 0.0 111.06 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -63.64 -41.17 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 C-N-CA 123.555 0.742 . . . . 0.0 112.343 -170.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -24.43 66.37 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.567 0.747 . . . . 0.0 109.085 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tt -88.27 -32.16 18.64 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.79 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.12 -50.85 65.96 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.739 1.154 . . . . 0.0 111.89 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -64.15 -40.38 96.02 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.764 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.49 -16.88 10.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.377 0.99 . . . . 0.0 112.322 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.96 -58.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 120.03 1.286 . . . . 0.0 107.852 170.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.64 -25.32 67.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.017 0.927 . . . . 0.0 111.14 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.13 12.99 32.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.579 1.552 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 176.16 3.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.92 . . . . 0.0 113.357 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -63.48 -58.27 7.56 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.818 0.847 . . . . 0.0 110.389 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.47 179.23 7.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 126.842 2.057 . . . . 0.0 108.101 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.9 m -45.49 -60.01 2.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.967 3.307 . . . . 0.0 110.949 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.7 t -68.88 -41.01 78.91 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -64.47 -20.84 66.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.836 0.855 . . . . 0.0 110.753 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.5 -62.45 1.41 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -71.78 -21.68 61.69 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.718 -176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -23.94 5.65 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.752 1.221 . . . . 0.0 113.102 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -100.75 -29.45 12.27 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.337 0.655 . . . . 0.0 112.011 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 ptp -67.8 -37.21 81.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.377 1.444 . . . . 0.0 112.054 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.36 -24.33 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.279 0.632 . . . . 0.0 109.741 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m -79.08 -38.77 35.5 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 120.647 -1.283 . . . . 0.0 110.952 172.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -52.88 63.86 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.245 1.418 . . . . 0.0 108.947 -174.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -10.77 10.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -171.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -109.55 -19.92 13.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.462 1.105 . . . . 0.0 110.204 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.03 -48.94 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 120.637 1.562 . . . . 0.0 108.419 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.33 -49.42 22.96 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 121.654 -0.654 . . . . 0.0 110.492 -166.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.43 -34.35 75.25 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.454 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t -69.87 2.19 3.67 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.365 0.529 . . . . 0.0 111.937 173.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -22.31 5.11 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.693 1.133 . . . . 0.0 111.644 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.422 HE21 HD21 ' A' ' 22' ' ' LEU . 9.5 pt20 -147.95 -4.14 0.49 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 119.222 3.045 . . . . 0.0 119.222 -165.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.14 55.36 24.55 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 121.958 2.163 . . . . 0.0 114.396 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.84 165.76 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.696 1.198 . . . . 0.0 112.768 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -55.5 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -173.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.24 0.98 0.13 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.07 2.148 . . . . 0.0 115.695 -164.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -65.43 -28.9 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.113 1.365 . . . . 0.0 111.483 -167.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.41 0.02 57.4 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.303 1.041 . . . . 0.0 112.362 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -70.92 -58.18 3.85 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 120.304 1.411 . . . . 0.0 107.433 163.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -31.99 71.81 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.999 -167.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.41 ' HG ' ' HG2' ' A' ' 75' ' ' GLU . 27.3 p -54.49 -60.07 3.85 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.344 1.429 . . . . 0.0 109.916 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HG2' ' HG ' ' A' ' 74' ' ' CYS . 3.2 mt-10 -70.15 -17.05 63.17 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.75 1.22 . . . . 0.0 111.031 -171.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -79.37 -64.23 1.23 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.431 1.492 . . . . 0.0 109.543 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -69.27 -31.65 70.31 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.962 -1.086 . . . . 0.0 112.676 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.07 -29.78 71.08 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.417 0.687 . . . . 0.0 111.162 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.71 -26.92 18.38 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.015 -0.428 . . . . 0.0 111.236 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.33 -27.01 68.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.763 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -76.04 -40.98 52.21 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.182 1.356 . . . . 0.0 110.85 167.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.88 62.06 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.633 1.573 . . . . 0.0 113.671 -168.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -62.33 -27.59 69.15 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.0 mt -106.24 11.2 31.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.472 2.309 . . . . 0.0 112.506 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 128.126 2.571 . . . . 0.0 111.051 166.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.591 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -144.64 117.71 8.88 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 64.9 172.72 0.2 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -85.27 -85.27 0.15 Allowed 'General case' 0 C--N 1.339 0.151 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 152.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -23.8 4.71 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.116 0.966 . . . . 0.0 113.033 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m 52.59 172.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.026 1.33 . . . . 0.0 112.537 -164.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.411 ' CG ' ' HZ3' ' A' ' 9' ' ' LYS . 35.9 t0 -98.26 60.17 1.39 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 123.013 1.387 . . . . 0.0 110.215 -148.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.11 74.85 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -153.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HZ3' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -108.33 88.69 2.79 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.625 -0.672 . . . . 0.0 110.416 179.191 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -60.26 117.15 4.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.9 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' CG2' ' H ' ' A' ' 12' ' ' SER 0.302 5.9 t -125.0 -87.07 0.62 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.447 ' H ' ' CG2' ' A' ' 11' ' ' THR . 53.0 m -70.39 119.54 14.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.709 1.204 . . . . 0.0 109.225 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.57 -17.63 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.275 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -45.89 -43.26 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.181 1.792 . . . . 0.0 111.008 174.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -28.59 16.07 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 118.461 -0.781 . . . . 0.0 112.674 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.71 -41.44 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 120.068 1.303 . . . . 0.0 111.72 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.1 t -63.37 -38.69 92.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.475 1.11 . . . . 0.0 108.43 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.41 -15.92 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 121.172 -0.955 . . . . 0.0 113.304 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.29 -42.73 6.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.884 0.874 . . . . 0.0 109.032 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -64.7 -17.76 64.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.991 1.717 . . . . 0.0 111.421 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.452 HE22 ' CG2' ' A' ' 68' ' ' VAL . 10.0 mt-30 -59.03 -42.74 90.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 109.82 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -94.67 -86.29 0.29 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -168.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.46 41.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 123.057 1.408 . . . . 0.0 112.502 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 150.26 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 119.54 -1.975 . . . . 0.0 110.915 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -108.78 108.97 19.99 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.287 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -56.16 -46.56 79.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.08 1.752 . . . . 0.0 110.279 165.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -78.09 46.76 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 110.392 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -152.75 157.85 41.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -24.73 60.72 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.731 -0.605 . . . . 0.0 112.31 174.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -51.63 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.083 0.953 . . . . 0.0 111.932 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -60.72 -15.98 34.96 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.7 -29.19 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 117.043 -1.456 . . . . 0.0 113.223 170.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -51.88 -29.14 18.6 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.874 1.67 . . . . 0.0 112.47 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -58.69 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.9 t -52.16 -48.17 43.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -39.52 55.49 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.797 1.181 . . . . 0.0 110.374 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.6 -23.07 65.34 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.508 1.123 . . . . 0.0 110.514 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -56.87 -48.68 77.58 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 120.829 -1.169 . . . . 0.0 110.47 170.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -62.84 -42.46 99.75 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 118.199 0.454 . . . . 0.0 109.808 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -58.15 -19.12 30.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.936 1.294 . . . . 0.0 112.374 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mm -71.28 -44.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.12 -27.62 62.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.398 1.479 . . . . 0.0 111.449 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.86 -3.45 58.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.078 0.399 . . . . 0.0 110.413 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.53 158.87 35.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.716 0.769 . . . . 0.0 110.331 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -40.29 83.62 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.558 1.143 . . . . 0.0 111.543 -174.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.22 176.88 9.0 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.614 1.166 . . . . 0.0 108.046 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -55.44 -56.81 15.88 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 123.868 0.867 . . . . 0.0 111.952 170.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -55.75 -47.01 77.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -168.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -75.78 -25.99 56.92 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -61.2 2.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -79.27 -18.58 52.46 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.913 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.92 -48.83 51.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 119.348 0.977 . . . . 0.0 110.484 168.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -29.3 61.57 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.253 -0.904 . . . . 0.0 111.485 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 ptp -67.92 -42.2 81.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.296 1.407 . . . . 0.0 111.729 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.3 t -70.68 -6.46 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 120.912 -1.117 . . . . 0.0 110.35 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 m -93.58 1.5 56.67 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 116.821 -1.562 . . . . 0.0 113.824 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 pp -118.17 -30.86 5.18 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 122.773 2.533 . . . . 0.0 112.569 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 2.25 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.58 1.552 . . . . 0.0 114.099 -165.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -116.13 -29.45 6.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.725 1.61 . . . . 0.0 109.53 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.49 -51.91 52.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 124.423 1.089 . . . . 0.0 109.539 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -33.11 61.35 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -168.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.56 -40.14 78.24 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 122.847 0.459 . . . . 0.0 110.211 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -71.04 8.77 0.85 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.584 1.154 . . . . 0.0 111.702 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -3.27 4.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.641 166.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -152.79 -27.66 0.15 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -167.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.02 64.85 3.7 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 120.509 1.504 . . . . 0.0 113.195 -170.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.89 164.09 16.79 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.739 -0.859 . . . . 0.0 112.783 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.555 HG23 ' H ' ' A' ' 69' ' ' ASP . 1.3 m -97.03 -82.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' H ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -65.91 19.92 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 131.108 3.763 . . . . 0.0 113.053 -164.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.52 -27.5 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 O-C-N 120.09 -1.631 . . . . 0.0 111.381 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.79 -17.0 60.02 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 123.882 0.873 . . . . 0.0 112.94 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -66.03 -51.08 61.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 119.47 1.032 . . . . 0.0 109.889 -173.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 ' H ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -59.59 -26.66 65.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.488 177.254 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.9 m -64.18 -18.85 64.88 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.534 1.061 . . . . 0.0 112.337 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -112.31 19.61 17.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.952 2.101 . . . . 0.0 108.405 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.19 -67.42 0.92 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.288 1.435 . . . . 0.0 109.475 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -66.55 -25.16 66.52 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.701 -1.249 . . . . 0.0 112.27 -172.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.17 77.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.202 1.001 . . . . 0.0 110.781 170.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.88 -36.63 49.48 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 110.965 -177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -66.41 -16.86 64.41 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.588 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -32.09 14.22 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.074 0.852 . . . . 0.0 112.088 168.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.88 81.05 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.982 1.313 . . . . 0.0 113.167 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.1 t -65.22 -21.73 66.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.75 0.82 . . . . 0.0 110.558 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.94 -5.56 44.49 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.634 1.574 . . . . 0.0 113.315 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.942 1.697 . . . . 0.0 109.894 -167.434 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.532 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -159.37 106.77 1.75 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 59.79 -162.48 0.25 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.227 1.411 . . . . 0.0 111.354 -169.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -53.24 16.87 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.951 1.7 . . . . 0.0 110.237 170.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.9 ptm -158.0 166.55 32.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.053 2.541 . . . . 0.0 107.061 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -126.08 40.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.092 0.957 . . . . 0.0 108.543 163.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 t0 64.64 54.6 1.4 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.05 1.405 . . . . 0.0 108.731 170.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.74 76.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -5.5 27.08 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HG ' ' HG ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER 52.1 74.95 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 109.336 -172.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.313 0.0 OUTLIER -97.14 -87.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.476 0.71 . . . . 0.0 110.085 -171.134 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -67.86 127.89 34.47 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 123.798 0.839 . . . . 0.0 109.62 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.75 -15.54 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 121.403 -0.811 . . . . 0.0 112.539 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.33 -23.68 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 126.857 2.063 . . . . 0.0 112.004 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -48.45 4.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.844 1.257 . . . . 0.0 109.496 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' HG ' ' A' ' 10' ' ' CYS . 3.1 mm? -69.95 -33.07 71.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -63.34 -31.68 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.503 1.121 . . . . 0.0 110.784 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.2 t -68.99 -38.7 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.321 1.448 . . . . 0.0 110.45 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -49.14 37.76 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.667 0.667 . . . . 0.0 109.737 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.66 -11.46 60.16 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.756 0.822 . . . . 0.0 112.253 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -15.95 45.44 Favored 'General case' 0 C--N 1.34 0.175 0 O-C-N 121.109 -0.995 . . . . 0.0 112.167 169.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.72 -84.25 0.66 Allowed 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.982 0.81 . . . . 0.0 112.345 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.76 36.39 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.027 1.731 . . . . 0.0 112.255 -165.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.2 156.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.804 0.812 . . . . 0.0 110.086 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -120.37 117.09 26.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 127.924 2.49 . . . . 0.0 106.055 173.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 p -57.82 -40.08 79.17 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 109.904 171.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -75.07 22.53 0.11 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.644 1.978 . . . . 0.0 112.927 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 155.94 49.37 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.874 -1.141 . . . . 0.0 108.626 171.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.42 37.58 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.4 -49.26 78.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.416 1.086 . . . . 0.0 111.254 -169.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -48.08 -48.99 33.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.564 0.62 . . . . 0.0 110.494 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.55 73.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.289 -1.338 . . . . 0.0 112.157 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -45.78 -41.99 11.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.808 1.186 . . . . 0.0 110.641 176.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -68.25 -63.16 1.11 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.1 -43.08 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.467 1.107 . . . . 0.0 110.113 -170.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -49.39 59.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.098 0.959 . . . . 0.0 112.231 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.61 -29.93 70.95 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.808 -0.558 . . . . 0.0 109.629 -171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -52.9 -57.46 10.2 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.225 0.61 . . . . 0.0 112.062 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -30.5 69.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.138 -174.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.4 -1.15 1.56 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.169 1.388 . . . . 0.0 113.447 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.6 mm -82.99 -48.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 CA-C-N 121.311 1.869 . . . . 0.0 106.601 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.34 -18.48 61.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.151 1.381 . . . . 0.0 111.037 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.52 21.61 16.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.893 1.677 . . . . 0.0 109.231 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.47 167.18 11.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.384 1.088 . . . . 0.0 111.443 168.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -71.01 -58.33 3.68 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 126.255 1.822 . . . . 0.0 111.088 -166.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -137.94 173.37 11.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.84 1.656 . . . . 0.0 107.327 -170.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.9 m -61.53 -50.75 71.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.591 0.756 . . . . 0.0 111.908 -173.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -61.84 -47.08 86.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.25 -8.25 58.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.106 0.562 . . . . 0.0 111.631 -168.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -68.81 0.53 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.015 1.326 . . . . 0.0 109.531 164.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -14.39 61.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.719 -168.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -39.06 30.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.398 1.479 . . . . 0.0 112.726 172.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -84.56 -34.3 23.26 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.791 0.723 . . . . 0.0 111.539 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.93 -48.14 73.5 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.165 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.38 -17.46 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -90.18 -32.23 16.71 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 109.257 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -52.8 63.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.486 2.314 . . . . 0.0 110.1 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -3.16 0.77 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -118.31 -26.05 6.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 110.237 -175.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -30.69 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 120.53 -1.356 . . . . 0.0 110.282 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.24 -57.18 8.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.43 -37.01 74.52 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 119.263 -0.399 . . . . 0.0 111.393 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -71.43 2.34 5.09 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.335 1.054 . . . . 0.0 112.148 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -6.75 8.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.992 -1.068 . . . . 0.0 112.53 171.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -160.09 -30.34 0.06 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.2 57.54 8.36 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.281 0.946 . . . . 0.0 115.218 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.76 170.6 0.39 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.503 1.121 . . . . 0.0 113.133 170.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.55 -62.24 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.088 166.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -63.62 17.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 130.826 3.65 . . . . 0.0 115.429 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.22 -28.88 45.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 120.114 -1.616 . . . . 0.0 112.598 -169.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -16.63 58.12 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.45 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -49.23 64.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.183 1.356 . . . . 0.0 111.062 -170.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -22.31 66.31 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.76 176.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.61 -53.81 20.36 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.488 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.55 -17.75 64.23 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.975 0.807 . . . . 0.0 111.523 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.88 -69.86 0.39 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.68 1.127 . . . . 0.0 108.914 163.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -70.26 -17.83 63.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -56.56 10.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.032 1.287 . . . . 0.0 108.182 168.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -36.94 78.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.861 0.864 . . . . 0.0 110.92 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.33 -12.29 61.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.357 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 -7.33 15.78 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 119.651 1.114 . . . . 0.0 112.785 173.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.57 -17.77 22.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.647 1.579 . . . . 0.0 111.95 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.0 t -85.06 -9.85 57.53 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.016 -1.053 . . . . 0.0 112.363 -166.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mp -89.5 1.99 55.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.38 2.272 . . . . 0.0 111.403 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.221 -169.918 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.233 0.204 0 CA-C-O 122.678 1.228 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 33.26 4.48 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.291 1.436 . . . . 0.0 111.283 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HD11 ' A' ' 16' ' ' LEU . 33.7 m 50.01 68.09 0.8 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.534 1.934 . . . . 0.0 111.432 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -71.65 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.542 2.337 . . . . 0.0 111.931 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -128.26 130.41 47.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.203 1.001 . . . . 0.0 109.514 -160.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.53 -23.37 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.841 -0.537 . . . . 0.0 111.995 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.52 -24.52 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 125.838 1.655 . . . . 0.0 111.925 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 HD13 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -85.9 -53.42 5.11 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 119.678 1.126 . . . . 0.0 109.254 170.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 10' ' ' CYS . 9.8 mt -64.69 -42.93 94.96 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 129.571 3.148 . . . . 0.0 111.696 -159.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.1 t -54.26 -50.55 66.97 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.243 1.417 . . . . 0.0 108.394 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.23 -12.74 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 0.0 111.926 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.85 -49.9 5.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.666 -1.272 . . . . 0.0 109.365 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.4 -17.68 64.28 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.342 1.057 . . . . 0.0 111.935 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.3 -19.78 24.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.468 1.907 . . . . 0.0 111.165 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.584 HD23 HE21 ' A' ' 65' ' ' GLN . 1.2 mm? -118.53 -85.26 0.65 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.966 0.907 . . . . 0.0 110.033 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.39 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.742 1.217 . . . . 0.0 112.73 -168.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 p -54.44 150.46 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.911 0.863 . . . . 0.0 109.955 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -116.47 122.02 43.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 p -48.24 -40.93 26.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.097 1.759 . . . . 0.0 111.494 165.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -69.17 -21.4 63.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.604 1.962 . . . . 0.0 112.816 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 m -109.94 132.23 54.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -28.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.611 1.565 . . . . 0.0 114.448 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -44.66 -48.38 10.56 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.369 2.267 . . . . 0.0 112.769 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -51.52 -57.94 7.68 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.011 0.91 . . . . 0.0 109.646 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.05 77.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.88 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -33.25 43.75 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.418 1.087 . . . . 0.0 110.164 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.48 -50.46 6.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.518 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.82 -52.12 18.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 C-N-CA 123.94 0.896 . . . . 0.0 109.973 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -32.98 64.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.081 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' A' ' 53' ' ' LYS . 3.2 tt -68.93 -28.98 67.14 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.273 -0.892 . . . . 0.0 110.126 -169.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -47.55 -58.84 3.76 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 124.528 1.131 . . . . 0.0 110.228 167.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.43 -43.05 93.15 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -65.86 -8.42 21.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.088 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 50' ' ' ALA . 20.8 mm -73.15 -61.22 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.607 1.163 . . . . 0.0 107.887 166.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.74 -24.77 67.03 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.834 -1.166 . . . . 0.0 111.004 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 13.77 30.89 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.164 2.186 . . . . 0.0 110.512 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 168.45 14.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.727 -0.608 . . . . 0.0 110.795 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.64 -48.25 79.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.033 0.933 . . . . 0.0 112.087 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -147.82 -169.03 3.23 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 107.667 -164.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 124.003 0.921 . . . . 0.0 111.232 168.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -58.59 -46.81 86.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.679 0.792 . . . . 0.0 109.762 -166.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -72.87 -11.21 60.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.773 -0.58 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -73.55 -64.44 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 120.972 -1.08 . . . . 0.0 109.652 169.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -23.45 63.96 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.63 -171.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.49 -33.56 21.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 112.646 167.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 37' ' ' LEU . 40.5 mttt -75.13 -44.72 45.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.61 1.096 . . . . 0.0 110.404 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptp -66.54 -37.03 84.12 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.043 -1.036 . . . . 0.0 111.469 -173.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 94.7 t -67.47 -7.34 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 124.154 0.982 . . . . 0.0 110.569 176.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -106.92 11.49 29.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 119.821 -1.8 . . . . 0.0 113.001 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.0 pp -111.96 -40.68 4.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 120.002 1.274 . . . . 0.0 111.314 168.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.05 -32.43 69.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 119.16 -2.212 . . . . 0.0 111.335 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.475 ' H ' HD23 ' A' ' 58' ' ' LEU . 7.0 t -78.63 -35.0 46.09 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 126.511 1.924 . . . . 0.0 108.48 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 57' ' ' LEU . 4.0 p -70.88 -44.28 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 118.574 0.624 . . . . 0.0 109.527 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -67.47 -56.72 8.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.531 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.75 -18.59 65.18 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.44 -0.788 . . . . 0.0 112.453 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -70.38 -46.44 64.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.07 43.8 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.463 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.584 HE21 HD23 ' A' ' 22' ' ' LEU . 8.1 pt20 -142.72 -15.25 0.73 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -165.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.86 34.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 120.147 1.34 . . . . 0.0 114.486 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.02 165.44 24.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.826 0.85 . . . . 0.0 111.967 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -107.05 -56.08 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.265 1.026 . . . . 0.0 112.109 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.31 16.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.114 2.966 . . . . 0.0 114.003 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -73.82 -15.7 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 119.341 -2.1 . . . . 0.0 112.321 -167.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -87.21 -16.81 34.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.372 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -53.84 53.31 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.232 0.924 . . . . 0.0 109.854 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -56.36 -43.1 78.81 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.163 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.16 -54.48 46.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.489 0.586 . . . . 0.0 110.83 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.7 -7.13 50.82 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.258 0.349 . . . . 0.0 111.86 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.28 -66.13 0.93 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.014 -1.054 . . . . 0.0 109.188 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -68.79 -25.03 64.49 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.471 -0.768 . . . . 0.0 112.982 -169.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -69.4 -41.62 76.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.004 1.274 . . . . 0.0 110.588 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -71.73 -28.38 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.863 0.865 . . . . 0.0 110.831 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.04 -11.31 58.88 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.384 -0.823 . . . . 0.0 109.59 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -49.32 9.46 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 126.183 1.793 . . . . 0.0 108.642 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.45 75.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.867 0.867 . . . . 0.0 111.48 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.913 1.285 . . . . 0.0 111.709 174.685 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 122.876 1.322 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -112.29 19.68 17.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.864 1.666 . . . . 0.0 112.686 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.77 145.11 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 128.127 2.571 . . . . 0.0 110.958 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.6 p -114.01 -67.0 1.03 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.751 1.22 . . . . 0.0 108.613 -169.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -148.92 134.95 19.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.439 2.696 . . . . 0.0 105.109 -166.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.06 -19.49 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.952 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.21 -21.39 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.686 1.595 . . . . 0.0 113.877 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.25 -45.88 4.01 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.309 1.044 . . . . 0.0 112.706 172.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.05 -39.55 86.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.863 0.756 . . . . 0.0 111.21 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.412 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 t -55.6 -45.52 77.45 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 125.545 1.538 . . . . 0.0 110.164 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.08 -22.5 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 120.747 -1.22 . . . . 0.0 112.044 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -50.23 6.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.834 -1.166 . . . . 0.0 109.124 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.2 pt20 -71.02 -17.11 62.64 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.64 -1.171 . . . . 0.0 112.542 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HG3' HD22 ' A' ' 22' ' ' LEU . 3.0 pt20 -66.95 -11.26 56.01 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.378 1.445 . . . . 0.0 111.226 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 21' ' ' GLN . 2.7 mm? -113.79 -85.89 0.59 Allowed 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.98 1.312 . . . . 0.0 110.116 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.01 25.41 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.233 1.413 . . . . 0.0 113.189 -166.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.08 159.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.07 0.948 . . . . 0.0 111.482 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -120.19 118.64 31.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.172 1.389 . . . . 0.0 108.631 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -68.7 -23.4 64.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.132 -0.355 . . . . 0.0 111.491 169.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 2.02 3.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.595 1.158 . . . . 0.0 113.498 172.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 m -121.51 160.99 23.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 109.862 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -23.9 61.29 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 176.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.713 HD11 HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -58.19 -50.65 72.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.362 0.665 . . . . 0.0 110.533 -164.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -48.02 -42.34 27.88 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.827 1.251 . . . . 0.0 111.847 170.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 -31.69 48.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.575 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -45.12 -37.47 4.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.224 1.374 . . . . 0.0 111.798 168.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.01 -62.37 1.72 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.189 0.306 . . . . 0.0 110.396 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.11 -42.26 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -167.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -27.12 62.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.417 1.008 . . . . 0.0 112.157 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -89.11 -14.43 36.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.371 -0.831 . . . . 0.0 110.952 -174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -64.07 -55.42 22.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.2 0.909 . . . . 0.0 109.622 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.93 -38.28 87.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.646 -0.692 . . . . 0.0 111.205 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -14.44 50.46 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.036 0.834 . . . . 0.0 112.749 -176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.71 -57.98 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 172.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.11 -40.82 86.95 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.3 13.58 6.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.92 2.088 . . . . 0.0 110.644 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 177.2 1.54 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.019 1.327 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.16 -48.49 15.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.658 1.183 . . . . 0.0 112.021 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.5 168.33 19.87 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.411 1.084 . . . . 0.0 108.198 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.5 m -59.76 -50.12 75.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.965 0.506 . . . . 0.0 111.34 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -61.22 -43.32 99.06 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.57 -15.71 61.75 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.638 -0.664 . . . . 0.0 112.068 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.68 75.29 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 119.227 0.921 . . . . 0.0 110.215 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -96.56 -26.1 15.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.356 -169.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.88 -36.16 58.85 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.838 0.745 . . . . 0.0 110.474 170.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.82 56.5 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.735 -1.228 . . . . 0.0 113.397 176.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.15 -39.5 82.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.92 1.691 . . . . 0.0 110.409 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.16 -7.22 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.395 1.078 . . . . 0.0 110.871 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -108.2 10.72 27.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 126.045 1.738 . . . . 0.0 112.535 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.91 -48.37 2.84 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.491 1.496 . . . . 0.0 109.441 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -54.85 -35.42 63.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.885 1.674 . . . . 0.0 112.55 -160.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -77.56 -27.88 51.64 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.786 1.234 . . . . 0.0 109.597 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.71 -44.5 81.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 CA-C-N 119.075 0.852 . . . . 0.0 108.776 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.27 -50.43 65.77 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.42 -37.49 86.02 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.909 -0.495 . . . . 0.0 111.69 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -63.33 -8.02 7.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 127.94 2.496 . . . . 0.0 111.979 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -12.29 5.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.701 1.2 . . . . 0.0 113.811 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.57 -10.56 0.25 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.3 46.74 43.96 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.827 1.203 . . . . 0.0 112.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.0 176.13 0.76 Allowed 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.395 1.078 . . . . 0.0 111.508 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 p -117.38 -50.85 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 C-N-CA 123.326 0.65 . . . . 0.0 110.091 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -81.97 14.75 2.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.22 -1.392 . . . . 0.0 109.642 -157.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.15 -19.94 25.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 120.871 -1.143 . . . . 0.0 111.225 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -76.4 -25.19 54.27 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 123.162 0.585 . . . . 0.0 111.443 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -67.0 -52.4 43.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.528 0.604 . . . . 0.0 110.323 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.7 OUTLIER -54.79 -37.44 66.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.38 173.7 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.8 m -59.39 -48.12 82.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 119.677 1.126 . . . . 0.0 110.676 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.54 -45.44 94.17 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 124.141 0.901 . . . . 0.0 109.27 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.73 -55.02 38.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.795 0.438 . . . . 0.0 110.69 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.415 ' CE ' HD12 ' A' ' 73' ' ' LEU . 13.2 ptt? -72.07 -22.24 61.39 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.587 0.63 . . . . 0.0 112.38 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.64 -53.44 41.45 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.532 1.06 . . . . 0.0 110.38 166.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.24 -21.59 61.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.429 -0.794 . . . . 0.0 110.649 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.42 -28.0 65.76 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.891 -1.131 . . . . 0.0 111.488 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -32.41 17.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 120.337 1.426 . . . . 0.0 111.095 174.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -28.61 69.12 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.539 0.524 0 C-N-CA 124.085 0.954 . . . . 0.0 110.991 -178.07 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 122.616 1.198 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.89 17.33 9.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.622 1.169 . . . . 0.0 113.608 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t 52.2 88.59 0.03 OUTLIER 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.0 1.72 . . . . 0.0 110.362 -170.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -97.44 150.23 21.27 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 161.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m 44.07 99.08 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.417 3.087 . . . . 0.0 113.823 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.57 -17.02 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 119.867 -1.771 . . . . 0.0 114.16 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.68 -45.65 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.894 1.278 . . . . 0.0 109.451 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -40.18 17.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 118.488 0.585 . . . . 0.0 112.181 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.46 -31.32 71.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.741 0.7 . . . . 0.0 111.993 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -54.65 -42.6 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.67 1.588 . . . . 0.0 109.502 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.12 -16.7 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.605 0.762 . . . . 0.0 112.216 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -96.21 -48.27 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 120.636 -1.29 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -69.08 -14.21 62.89 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.897 0.879 . . . . 0.0 111.651 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 22' ' ' LEU . 5.0 mt-30 -50.32 -34.37 23.43 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.781 1.232 . . . . 0.0 110.709 165.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 HE21 ' A' ' 65' ' ' GLN . 2.8 mm? -110.31 -85.68 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -162.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.97 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.675 0.79 . . . . 0.0 112.455 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.67 141.03 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 124.059 0.944 . . . . 0.0 109.744 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.65 125.83 47.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.448 -2.427 . . . . 0.0 104.448 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 p -58.94 -29.27 66.99 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.27 0.941 . . . . 0.0 110.928 172.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -62.3 -31.14 71.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.132 0.973 . . . . 0.0 111.041 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -69.11 138.44 54.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -23.93 2.9 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.129 0.966 . . . . 0.0 111.74 169.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -53.78 -41.54 67.33 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 126.716 2.006 . . . . 0.0 112.595 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -55.73 -55.89 26.98 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.409 0.55 . . . . 0.0 109.844 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.52 90.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.568 1.147 . . . . 0.0 112.064 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -36.05 30.05 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.443 1.497 . . . . 0.0 111.477 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.4 t -79.76 -58.5 3.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.91 -42.42 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.74 0.816 . . . . 0.0 110.42 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -42.87 84.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.556 0.616 . . . . 0.0 112.082 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -74.56 -14.01 60.74 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.506 1.123 . . . . 0.0 110.881 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -60.84 -49.45 77.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.252 0.621 . . . . 0.0 110.082 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -60.97 -37.94 84.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -24.94 31.25 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.341 1.056 . . . . 0.0 111.916 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG23 ' HB1' ' A' ' 50' ' ' ALA . 11.5 mm -76.65 -49.49 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.181 1.392 . . . . 0.0 109.301 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.31 -40.47 77.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 120.39 -1.444 . . . . 0.0 109.001 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.48 5.96 9.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.602 1.161 . . . . 0.0 111.007 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.79 162.37 16.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 122.455 1.122 . . . . 0.0 112.914 -173.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.12 -58.47 8.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.767 1.627 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.33 179.91 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 125.662 1.585 . . . . 0.0 106.949 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -59.28 -56.63 19.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 111.918 165.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -52.79 60.01 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.19 -0.35 11.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.994 0.517 . . . . 0.0 111.582 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -79.62 -70.16 0.53 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.604 -1.31 . . . . 0.0 108.858 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -66.88 -25.24 66.3 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 111.188 -170.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.77 -36.8 27.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.208 1.003 . . . . 0.0 112.054 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -87.95 -28.63 21.36 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.91 -1.118 . . . . 0.0 111.802 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 ptp -67.08 -37.62 84.29 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.551 1.523 . . . . 0.0 111.13 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -11.51 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.516 1.526 . . . . 0.0 110.742 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -92.64 -5.95 50.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.941 0.896 . . . . 0.0 112.704 172.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -107.7 -48.05 3.49 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 120.247 -1.533 . . . . 0.0 109.002 -169.181 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.12 7.61 0.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.885 2.074 . . . . 0.0 114.89 -171.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -112.7 -37.98 4.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.499 1.92 . . . . 0.0 111.706 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.78 -23.03 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 119.339 0.972 . . . . 0.0 111.92 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 HD11 ' A' ' 30' ' ' LEU . 3.2 mm? -66.97 -58.23 5.35 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 168.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.12 -32.91 70.26 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.126 0.971 . . . . 0.0 113.484 -164.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -70.71 -26.0 63.21 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -24.33 19.4 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.837 -1.165 . . . . 0.0 112.543 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.586 HE21 HD23 ' A' ' 22' ' ' LEU . 9.3 pt20 -142.13 -19.38 0.72 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -168.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 53.26 30.19 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 120.091 1.314 . . . . 0.0 113.562 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.28 173.17 11.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 117.698 0.749 . . . . 0.0 112.022 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 m -126.26 -41.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.35 16.95 0.9 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.097 -1.627 . . . . 0.0 112.44 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -66.39 -22.82 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 120.322 -1.486 . . . . 0.0 112.011 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -82.77 -14.67 54.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.368 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 -53.84 27.38 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 119.556 1.071 . . . . 0.0 109.717 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -27.1 65.71 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.404 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.2 m -56.25 -56.16 24.4 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 119.176 0.898 . . . . 0.0 109.791 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -74.64 -3.64 32.47 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.283 1.833 . . . . 0.0 111.189 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -71.89 0.53 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 170.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -65.03 -24.28 67.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -172.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.41 -52.1 17.47 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 119.738 1.154 . . . . 0.0 109.407 172.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.3 -29.09 69.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.975 0.893 . . . . 0.0 110.69 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -68.55 -27.26 65.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.898 -1.126 . . . . 0.0 111.612 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.25 -29.68 22.92 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 111.52 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.33 62.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.072 0.949 . . . . 0.0 113.462 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.223 -0.306 0 O-C-N 120.535 -1.353 . . . . 0.0 110.3 -178.733 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 36' ' ' GLN . 13.2 m . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 123.124 1.44 . . . . 0.0 113.064 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.78 2.05 25.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 67.17 157.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.187 2.995 . . . . 0.0 112.366 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -87.67 0.07 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -75.12 130.65 39.61 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.33 -19.52 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.308 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -45.02 -47.62 2.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 124.967 1.307 . . . . 0.0 109.529 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.596 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -75.83 -40.41 54.91 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 123.7 0.8 . . . . 0.0 111.972 -174.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -69.63 -36.44 76.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.956 0.502 . . . . 0.0 111.138 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.609 1.164 . . . . 0.0 110.157 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -52.19 -36.53 20.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 123.597 0.759 . . . . 0.0 111.038 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.29 -48.52 8.44 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 123.35 0.66 . . . . 0.0 110.363 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.37 -11.07 59.97 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.246 0.967 . . . . 0.0 111.657 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.57 ' OE1' HG22 ' A' ' 68' ' ' VAL . 20.2 tt0 -62.35 -23.21 66.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.693 -1.255 . . . . 0.0 109.98 164.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.43 -73.38 0.65 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.829 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.98 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.178 1.391 . . . . 0.0 113.476 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.301 7.5 p 42.02 129.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 130.818 3.647 . . . . 0.0 116.153 174.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -93.57 100.51 12.76 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.995 -1.69 . . . . 0.0 108.341 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -55.67 -37.81 68.78 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.218 1.007 . . . . 0.0 110.278 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 m -79.86 46.56 0.79 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.086 1.754 . . . . 0.0 111.248 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 t -154.52 159.57 41.03 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.448 1.899 . . . . 0.0 106.942 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -20.72 57.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 162.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -53.3 -58.31 7.51 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.035 0.934 . . . . 0.0 112.003 -172.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -45.62 -44.92 13.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.706 0.685 . . . . 0.0 111.829 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.0 66.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.049 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -47.04 -43.85 20.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.517 1.527 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.47 -55.38 5.74 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.377 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -57.97 -39.96 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 O-C-N 123.91 0.756 . . . . 0.0 110.861 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.553 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -75.21 -44.16 47.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 122.712 0.405 . . . . 0.0 111.588 -176.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 41' ' ' ILE . 4.8 tt -74.82 -26.63 59.85 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.608 -0.682 . . . . 0.0 109.679 -171.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -48.1 -55.73 9.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.284 1.034 . . . . 0.0 109.937 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -39.47 92.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.35 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.9 -18.99 48.98 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.562 -1.208 . . . . 0.0 111.741 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 37' ' ' LEU . 6.8 mm -60.58 -62.38 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 120.131 1.332 . . . . 0.0 108.496 170.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.52 -35.9 82.46 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.632 1.206 . . . . 0.0 108.492 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.01 9.93 9.1 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.84 2.056 . . . . 0.0 110.73 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.43 -177.97 1.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.225 1.012 . . . . 0.0 111.16 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -87.12 -52.53 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.602 0.761 . . . . 0.0 110.636 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.09 173.25 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -171.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -50.46 73.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.931 0.892 . . . . 0.0 111.343 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -60.72 -49.59 76.88 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.72 -38.16 80.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.34 0.656 . . . . 0.0 110.451 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.09 84.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.635 0.774 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.46 -21.18 16.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 119.225 0.92 . . . . 0.0 111.494 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.12 -49.96 30.25 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.08 0.952 . . . . 0.0 108.48 168.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -70.19 -33.22 71.45 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.356 -1.307 . . . . 0.0 113.326 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -66.82 -40.24 87.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 121.163 1.801 . . . . 0.0 110.278 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.68 -22.39 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -81.96 -8.01 59.65 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.283 -1.511 . . . . 0.0 113.236 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -57.01 3.06 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 120.232 1.378 . . . . 0.0 111.38 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -44.62 -47.82 10.44 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.476 1.51 . . . . 0.0 113.698 -162.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.514 ' H ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.95 -28.91 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.926 2.49 . . . . 0.0 109.61 -170.558 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.02 -52.17 59.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -76.85 -39.36 51.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.833 -171.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 70' ' ' ILE . 3.4 mt -60.44 -41.41 94.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 119.127 0.876 . . . . 0.0 109.595 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -75.13 6.56 4.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.684 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.27 -5.49 8.86 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.947 1.249 . . . . 0.0 112.85 168.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.43 -33.95 0.26 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -164.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 32.62 56.94 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 120.281 1.4 . . . . 0.0 114.534 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.22 146.37 53.54 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.78 1.29 . . . . 0.0 112.514 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.57 HG22 ' OE1' ' A' ' 21' ' ' GLN . 16.9 m -85.29 -55.26 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.772 0.829 . . . . 0.0 109.937 174.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -83.03 21.25 1.08 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.725 1.61 . . . . 0.0 112.632 -158.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 62' ' ' LEU . 8.2 tp -66.14 -15.15 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 120.786 -1.197 . . . . 0.0 112.638 -168.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -94.28 -13.25 26.7 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.028 1.731 . . . . 0.0 111.716 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -50.49 32.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.764 0.711 . . . . 0.0 110.386 -167.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -61.55 -33.85 74.56 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.489 0.493 . . . . 0.0 110.602 172.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.33 -49.07 79.06 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.273 0.942 . . . . 0.0 108.911 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.52 -9.0 30.31 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.185 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.262 3.1 pt-20 -88.58 -63.78 1.24 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 120.779 1.627 . . . . 0.0 108.894 166.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -67.08 -21.39 65.88 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.643 1.177 . . . . 0.0 113.065 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.21 -24.91 61.47 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.935 -0.478 . . . . 0.0 110.721 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.8 -30.56 11.63 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 123.368 0.667 . . . . 0.0 112.249 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.08 -15.81 57.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.716 -0.615 . . . . 0.0 111.634 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -30.71 16.03 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.0 112.795 167.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.48 -23.87 56.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.326 1.45 . . . . 0.0 111.317 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 126.343 1.857 . . . . 0.0 111.402 179.01 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 122.419 1.104 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 38.53 0.89 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.8 -1.188 . . . . 0.0 110.484 -169.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' HD21 ' A' ' 16' ' ' LEU . 5.6 m 55.68 -66.35 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 128.972 2.909 . . . . 0.0 113.068 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.271 3.2 p 75.55 -164.96 0.07 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 128.098 2.559 . . . . 0.0 110.66 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -43.44 112.76 0.41 Allowed 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 130.244 3.418 . . . . 0.0 109.942 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 m -51.92 -17.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 124.757 1.223 . . . . 0.0 113.969 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.65 -47.59 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.49 1.516 . . . . 0.0 109.89 172.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -82.84 -44.28 15.65 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.478 HD21 ' O ' ' A' ' 10' ' ' CYS . 4.1 mm? -56.74 -43.54 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.859 -0.526 . . . . 0.0 110.536 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -58.88 -26.41 64.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.395 1.078 . . . . 0.0 111.898 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.32 -39.22 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 119.981 1.264 . . . . 0.0 109.905 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -40.65 17.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.044 0.838 . . . . 0.0 109.906 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.85 -15.21 63.44 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.51 1.524 . . . . 0.0 111.859 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.07 -37.05 68.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 109.531 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 67' ' ' ALA . 3.0 mm? -96.09 -86.19 0.32 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -168.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 175.26 27.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.704 1.602 . . . . 0.0 112.224 -166.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.32 148.2 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.377 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -97.1 112.5 24.25 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -49.77 -42.52 46.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.766 1.626 . . . . 0.0 109.704 166.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.5 p -80.05 39.5 0.44 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.961 -1.087 . . . . 0.0 112.345 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -138.82 151.45 47.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 162.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.28 7.53 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 61' ' ' LEU . 1.7 tm? -54.81 -42.43 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.799 0.727 . . . . 0.0 110.977 -172.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -54.3 -47.79 72.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.451 0.701 . . . . 0.0 111.765 170.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -36.78 52.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 -168.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -43.67 -45.06 6.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.733 1.213 . . . . 0.0 111.3 171.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.8 -49.78 35.63 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.114 -171.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.65 -39.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.7 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -43.84 64.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.542 1.064 . . . . 0.0 109.729 -173.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -31.71 69.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.02 0.928 . . . . 0.0 111.176 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -56.43 -49.38 74.74 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.043 0.937 . . . . 0.0 110.681 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -58.47 -45.84 87.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.5 -5.18 18.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.188 1.395 . . . . 0.0 112.621 -165.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.09 -48.29 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.731 2.012 . . . . 0.0 108.683 168.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.0 mt -72.79 -24.39 60.92 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.372 1.069 . . . . 0.0 111.202 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -91.48 1.98 56.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.769 0.828 . . . . 0.0 111.401 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.77 178.89 2.4 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.966 0.906 . . . . 0.0 113.397 -166.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.36 -86.12 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 170.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -105.07 179.29 4.31 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 125.038 1.335 . . . . 0.0 108.749 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.7 m -58.51 -58.87 6.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.729 0.411 . . . . 0.0 110.72 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 t -55.94 -47.85 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.86 0.864 . . . . 0.0 108.849 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.11 -19.17 61.84 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.621 0.769 . . . . 0.0 111.09 -175.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.93 -69.76 0.26 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 167.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -71.85 -21.31 61.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.844 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.91 -38.32 35.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.716 1.144 . . . . 0.0 112.196 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -82.52 -27.79 31.5 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.021 -1.049 . . . . 0.0 113.235 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.82 -37.87 87.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.611 1.551 . . . . 0.0 110.124 171.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.72 -27.46 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 109.672 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -1.76 24.18 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 171.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 58' ' ' LEU 0.292 0.2 OUTLIER -115.12 -25.6 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 168.22 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.66 3.03 0.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 O-C-N 119.597 -1.94 . . . . 0.0 115.499 -174.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -123.66 -51.57 1.82 Allowed 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 126.394 1.878 . . . . 0.0 108.255 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.39 -32.56 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.382 1.873 . . . . 0.0 113.098 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.3 mt -90.49 -43.02 10.52 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 125.738 1.615 . . . . 0.0 110.121 -176.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HG21 ' A' ' 70' ' ' ILE . 4.2 mt -65.53 -35.25 80.32 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 19.11 0.87 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.935 1.294 . . . . 0.0 110.54 173.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -23.47 4.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.09 -1.631 . . . . 0.0 112.383 162.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.22 -25.46 0.85 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 119.146 3.017 . . . . 0.0 119.146 -162.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.46 53.26 5.17 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.24 1.382 . . . . 0.0 114.502 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -96.04 170.87 8.98 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.582 1.691 . . . . 0.0 111.727 174.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.23 -36.26 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.22 1.008 . . . . 0.0 113.483 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -76.61 15.74 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.81 -1.182 . . . . 0.0 112.728 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 62' ' ' LEU . 8.5 tp -63.65 -29.49 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 124.992 1.317 . . . . 0.0 111.12 -168.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -90.01 -6.96 55.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.392 1.077 . . . . 0.0 112.569 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -59.02 3.52 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.072 1.305 . . . . 0.0 109.739 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -60.3 -22.51 63.25 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.774 -177.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.6 m -58.2 -57.58 12.25 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.077 0.853 . . . . 0.0 109.48 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.41 -19.22 65.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.252 1.021 . . . . 0.0 112.204 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -68.53 0.45 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.764 0.826 . . . . 0.0 109.978 169.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.408 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.0 ptt? -75.61 -18.62 59.65 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -163.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -52.23 50.6 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 119.137 0.88 . . . . 0.0 108.955 162.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.22 -39.41 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.292 0.568 . . . . 0.0 111.007 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.85 -18.84 64.55 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 117.387 -1.292 . . . . 0.0 111.844 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -42.34 11.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 121.051 1.751 . . . . 0.0 111.073 166.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.55 73.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.323 1.449 . . . . 0.0 112.456 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.035 -170.684 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 1.84 18.09 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 50.95 177.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 129.268 3.027 . . . . 0.0 113.025 -171.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t 177.81 170.34 0.67 Allowed 'General case' 0 C--O 1.239 0.512 0 C-N-CA 129.084 2.954 . . . . 0.0 107.018 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m 43.83 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.655 2.382 . . . . 0.0 113.493 160.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.46 -22.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 116.591 -1.671 . . . . 0.0 114.912 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.02 -39.61 3.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 120.381 1.446 . . . . 0.0 111.787 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.29 4.29 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.961 1.255 . . . . 0.0 110.338 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.5 -38.77 88.54 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.323 -0.86 . . . . 0.0 113.0 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.74 -37.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.636 1.574 . . . . 0.0 111.123 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.27 -38.75 63.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 119.934 1.243 . . . . 0.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.72 -46.02 10.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.996 0.817 . . . . 0.0 110.535 -171.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.06 -24.58 67.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.3 tt0 -51.62 -29.28 17.03 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.098 1.359 . . . . 0.0 111.004 172.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 21' ' ' GLN . 2.5 mm? -102.92 -87.73 0.41 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.129 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.9 25.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.377 0.99 . . . . 0.0 112.716 -166.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.48 155.23 4.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 125.769 1.628 . . . . 0.0 112.367 -170.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -118.47 109.5 16.3 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.187 1.395 . . . . 0.0 109.26 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -56.13 -31.99 63.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.935 0.894 . . . . 0.0 111.091 166.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -71.77 15.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.759 2.024 . . . . 0.0 113.305 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -137.73 160.98 37.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 120.163 1.347 . . . . 0.0 109.031 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -26.63 58.86 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 173.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.27 -43.07 87.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.048 0.539 . . . . 0.0 111.754 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.6 t90 -55.62 -38.2 69.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.931 0.787 . . . . 0.0 111.171 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -26.1 48.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 112.158 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -55.93 -21.84 22.84 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.445 1.098 . . . . 0.0 112.444 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -33.5 7.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.711 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.25 -72.91 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 119.122 0.874 . . . . 0.0 109.622 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.97 70.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.882 1.219 . . . . 0.0 110.799 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 HD23 ' A' ' 57' ' ' LEU . 7.3 tp -77.01 -8.67 57.82 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.298 -174.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -79.5 -46.23 17.81 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.212 0.914 . . . . 0.0 110.005 164.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -63.58 -44.44 94.06 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.89 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.04 -29.74 45.13 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.497 1.519 . . . . 0.0 111.23 -170.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.7 mm -57.07 -63.81 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 128.723 2.809 . . . . 0.0 110.375 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.3 -3.96 30.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.016 0.926 . . . . 0.0 110.642 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.52 3.76 11.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 129.169 2.988 . . . . 0.0 110.426 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 178.64 3.0 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.264 1.026 . . . . 0.0 111.874 -170.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -64.82 -70.19 0.24 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -133.76 171.58 13.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 m -49.82 -54.77 17.27 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.384 1.473 . . . . 0.0 111.937 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -65.2 -40.06 93.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -168.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.56 -21.2 49.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -69.48 0.26 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.681 1.192 . . . . 0.0 109.535 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -19.66 63.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.046 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -30.56 5.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.55 1.94 . . . . 0.0 114.82 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -26.7 16.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.845 0.748 . . . . 0.0 112.743 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 ttm -60.14 -52.62 64.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.972 1.309 . . . . 0.0 110.419 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.81 -11.0 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 120.952 -1.093 . . . . 0.0 113.793 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -108.11 9.16 28.35 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.34 1.856 . . . . 0.0 111.354 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.9 pp -115.25 -42.39 3.18 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.21 1.368 . . . . 0.0 110.282 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.36 -30.99 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 119.218 0.917 . . . . 0.0 111.902 -170.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 58' ' ' LEU . 28.9 t -74.18 -38.82 63.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 108.463 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.39 -50.07 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.036 1.734 . . . . 0.0 109.177 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 HE22 ' A' ' 65' ' ' GLN . 2.5 mm? -60.21 -59.17 5.83 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.058 0.943 . . . . 0.0 108.799 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 67' ' ' ALA . 8.1 mp -65.35 -29.45 70.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.392 -0.814 . . . . 0.0 110.896 -171.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.1 t -77.13 13.98 1.0 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.081 0.855 . . . . 0.0 112.117 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -18.16 2.81 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.6 1.091 . . . . 0.0 112.931 169.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.415 HE22 HD12 ' A' ' 61' ' ' LEU 0.252 3.9 pt20 -128.57 -70.98 0.66 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.496 -172.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.58 49.95 0.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -165.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -82.09 165.34 20.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.08 -39.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 123.742 0.817 . . . . 0.0 112.068 -176.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -79.43 11.54 2.94 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.779 -0.575 . . . . 0.0 111.572 -171.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.8 tp -66.16 -20.33 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.82 1.248 . . . . 0.0 111.633 -173.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -86.52 -13.2 46.65 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 112.28 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -68.78 -61.53 1.77 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 120.426 1.466 . . . . 0.0 110.291 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.61 ' H ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.82 -29.06 64.63 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.085 -176.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.34 -50.79 71.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.55 -9.64 58.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.256 1.022 . . . . 0.0 111.353 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -72.85 0.2 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.671 -1.268 . . . . 0.0 107.974 156.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -61.43 -28.87 69.57 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.78 -54.71 17.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 119.949 1.25 . . . . 0.0 111.0 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.11 -32.99 74.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.272 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.41 -23.88 67.59 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -91.41 -31.08 16.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.201 1.364 . . . . 0.0 111.182 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.6 -31.2 70.21 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.033 1.333 . . . . 0.0 110.275 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.923 1.689 . . . . 0.0 111.308 179.052 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 123.634 1.683 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 pttt -95.83 89.96 5.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 126.865 2.066 . . . . 0.0 110.506 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 16' ' ' LEU . 18.7 p -64.65 130.37 43.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.431 1.11 . . . . 0.0 111.436 -173.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -142.68 166.08 25.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 127.573 2.349 . . . . 0.0 106.3 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m 44.45 107.56 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.03 2.532 . . . . 0.0 115.521 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.78 -20.73 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 119.906 -1.746 . . . . 0.0 113.248 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -37.88 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.39 1.076 . . . . 0.0 111.846 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.49 -54.09 5.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 120.06 1.3 . . . . 0.0 108.787 176.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 10' ' ' CYS . 6.1 mt -68.46 -39.54 81.38 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.462 1.905 . . . . 0.0 112.172 -158.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 t -55.05 -48.5 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 125.696 1.598 . . . . 0.0 109.462 172.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 HD12 ' A' ' 70' ' ' ILE . 94.7 t -59.97 -23.26 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.282 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -87.85 -48.72 7.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.336 1.426 . . . . 0.0 110.309 178.346 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.6 -17.99 62.89 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.994 0.918 . . . . 0.0 112.871 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -58.51 -23.52 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.468 1.507 . . . . 0.0 111.291 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.698 HD23 HE21 ' A' ' 65' ' ' GLN . 1.9 mm? -108.61 -80.84 0.57 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.905 0.775 . . . . 0.0 109.804 -173.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.9 26.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.545 1.938 . . . . 0.0 112.446 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.56 153.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-O 122.522 1.153 . . . . 0.0 110.85 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -108.68 112.24 24.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -60.06 -30.73 69.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.83 0.452 . . . . 0.0 110.165 170.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 t -70.91 23.49 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.891 1.676 . . . . 0.0 112.899 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -133.13 157.18 45.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 120.479 1.49 . . . . 0.0 109.188 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -20.34 48.47 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.608 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 61' ' ' LEU . 1.9 tm? -58.42 -52.76 64.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 118.267 0.485 . . . . 0.0 110.925 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -54.36 -35.94 63.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.602 -0.686 . . . . 0.0 111.215 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 -31.44 45.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.8 -49.1 49.98 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 125.792 1.637 . . . . 0.0 108.494 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.22 -42.67 54.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.037 -172.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.58 -59.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.22 1.408 . . . . 0.0 109.99 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -44.42 82.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.349 0.977 . . . . 0.0 111.326 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.64 -27.86 66.38 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.38 -0.825 . . . . 0.0 110.962 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' ND1' HD11 ' A' ' 15' ' ' LEU . 79.3 t60 -57.22 -49.01 77.35 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.356 0.98 . . . . 0.0 111.177 171.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -57.35 -49.14 77.09 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -61.46 -16.73 49.87 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 117.726 -1.13 . . . . 0.0 112.401 -170.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 ' HG3' ' A' ' 77' ' ' MET . 9.0 mm -64.67 -68.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 170.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.36 -26.42 67.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.968 0.907 . . . . 0.0 109.621 -171.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.99 -0.65 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.941 1.296 . . . . 0.0 110.956 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 170.25 0.63 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.661 0.784 . . . . 0.0 110.883 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -66.96 0.5 Allowed 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 172.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -125.0 170.54 11.03 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.596 1.189 . . . . 0.0 110.45 -165.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.0 m -50.11 -53.03 30.16 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.014 2.126 . . . . 0.0 112.209 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -62.45 -46.15 89.84 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 119.25 -0.98 . . . . 0.0 108.572 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.24 -26.25 62.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.86 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.82 83.01 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.626 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -102.91 -23.35 13.74 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.06 -23.68 21.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.747 1.219 . . . . 0.0 113.075 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -34.71 15.76 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 117.659 -1.162 . . . . 0.0 112.952 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptp -65.11 -38.57 91.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.0 1.727 . . . . 0.0 111.42 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 58' ' ' LEU . 26.8 m -64.61 -19.88 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 122.183 0.992 . . . . 0.0 112.716 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.2 m -101.38 16.19 26.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.132 2.573 . . . . 0.0 110.606 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.32 -59.45 1.64 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -64.04 7.44 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.859 2.464 . . . . 0.0 116.569 -167.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -134.92 -19.35 1.78 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.456 2.302 . . . . 0.0 111.064 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 57' ' ' LEU . 8.2 p -70.86 -39.71 75.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 119.998 -1.689 . . . . 0.0 109.279 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 30' ' ' LEU . 1.4 mt -72.07 -42.16 66.56 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.079 0.952 . . . . 0.0 109.274 -172.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.36 -34.47 66.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 14.66 1.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.804 0.841 . . . . 0.0 112.047 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.45 -6.34 4.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 112.739 167.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.698 HE21 HD23 ' A' ' 22' ' ' LEU . 6.5 pt20 -154.31 -28.61 0.12 Allowed 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -173.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.79 68.29 1.72 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.964 1.269 . . . . 0.0 111.852 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.12 175.24 9.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.536 1.534 . . . . 0.0 112.476 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -56.66 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.17 1.388 . . . . 0.0 114.115 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -73.81 16.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.552 2.741 . . . . 0.0 111.987 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 6.0 tp -64.22 -24.43 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.565 1.146 . . . . 0.0 112.112 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -85.8 -10.87 54.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.933 -0.479 . . . . 0.0 111.469 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -49.41 70.15 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -171.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.04 -33.5 70.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.233 173.578 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.3 m -69.08 -24.62 64.16 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 119.903 1.229 . . . . 0.0 112.647 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -95.27 -5.69 43.08 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.986 0.812 . . . . 0.0 110.841 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -103.19 -63.88 1.13 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.418 1.087 . . . . 0.0 109.5 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG3' HG21 ' A' ' 41' ' ' ILE . 7.2 ptt? -68.02 -33.53 74.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.653 -1.279 . . . . 0.0 112.523 -171.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.45 -30.78 71.81 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.389 -0.819 . . . . 0.0 109.43 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.66 -40.02 30.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 110.446 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.07 -11.97 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.748 1.219 . . . . 0.0 113.637 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -30.13 14.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 120.364 1.438 . . . . 0.0 112.124 165.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.12 89.91 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 129.511 3.124 . . . . 0.0 111.415 178.75 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.1 t . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -2.55 27.6 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.194 -0.941 . . . . 0.0 113.429 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HD11 ' A' ' 16' ' ' LEU . 73.7 m 48.33 52.23 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.757 1.265 . . . . 0.0 110.794 -171.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -59.52 168.5 1.58 Allowed 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.495 1.918 . . . . 0.0 108.025 151.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.37 97.84 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.411 2.685 . . . . 0.0 113.6 166.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -55.22 -18.81 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 120.483 -1.386 . . . . 0.0 114.489 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.27 -27.51 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.019 0.827 . . . . 0.0 110.91 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -77.96 -50.04 12.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 124.202 1.953 . . . . 0.0 108.906 174.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 10' ' ' CYS . 3.2 mt -64.2 -40.64 96.51 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 128.126 2.571 . . . . 0.0 110.172 -165.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -59.45 -44.07 93.03 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.952 1.301 . . . . 0.0 109.231 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.38 -17.86 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.488 1.115 . . . . 0.0 111.498 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -49.09 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 120.165 -1.584 . . . . 0.0 109.702 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -67.71 -18.73 65.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.887 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -51.34 -30.79 19.69 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.111 1.364 . . . . 0.0 111.008 172.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 67' ' ' ALA . 2.7 mm? -114.95 -87.2 0.59 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.801 -164.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.51 39.08 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.799 2.44 . . . . 0.0 109.999 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.03 132.66 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 121.334 -0.853 . . . . 0.0 110.711 -173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.05 94.57 0.07 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.632 1.573 . . . . 0.0 108.246 166.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 p -66.81 -4.75 9.96 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 112.073 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -95.26 -2.12 50.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.758 1.623 . . . . 0.0 112.326 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 m -117.18 163.33 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 121.502 1.955 . . . . 0.0 111.638 -171.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -28.2 62.45 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.851 -0.531 . . . . 0.0 111.843 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 30' ' ' LEU . 3.2 tm? -53.9 -49.56 68.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.581 0.352 . . . . 0.0 110.84 -177.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.45 -44.64 65.64 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 122.375 0.27 . . . . 0.0 110.549 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -31.7 71.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.438 -0.792 . . . . 0.0 111.945 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -58.17 -21.02 45.42 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 120.172 1.351 . . . . 0.0 112.521 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -55.88 3.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 165.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.55 -55.06 25.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -168.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -69.35 -21.18 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.6 -0.687 . . . . 0.0 112.071 -178.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.3 -19.35 23.06 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.812 -0.555 . . . . 0.0 109.852 -168.467 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -59.96 -59.36 5.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.264 1.026 . . . . 0.0 111.682 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.99 -32.73 69.95 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.254 -0.279 . . . . 0.0 110.865 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -16.14 49.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.572 -1.204 . . . . 0.0 112.594 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -77.61 -46.27 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.6 mm? -68.7 -32.7 72.7 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.487 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.92 -0.02 57.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.946 0.499 . . . . 0.0 110.918 -176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 170.42 16.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.155 0.979 . . . . 0.0 111.548 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -71.44 -74.09 0.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.301 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -103.44 170.5 7.91 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -60.22 -47.97 83.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.536 1.134 . . . . 0.0 112.096 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 t -58.7 -42.32 88.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 108.856 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -27.57 57.89 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.673 -0.642 . . . . 0.0 111.329 -174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.98 -62.94 1.37 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.205 1.002 . . . . 0.0 109.758 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -20.23 62.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.133 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -53.79 -26.29 23.15 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.109 -0.994 . . . . 0.0 112.556 168.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 17.2 mttm -73.66 -46.6 45.57 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 120.727 -1.233 . . . . 0.0 111.797 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.54 -37.42 82.67 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.384 0.993 . . . . 0.0 110.907 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 58' ' ' LEU . 96.6 t -65.17 -4.89 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 125.274 1.429 . . . . 0.0 111.237 176.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.0 m -112.43 10.16 19.75 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.286 1.434 . . . . 0.0 112.102 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 58' ' ' LEU . 1.9 pp -120.22 -32.9 4.03 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.683 1.583 . . . . 0.0 111.602 171.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -68.61 2.64 2.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.989 1.716 . . . . 0.0 113.66 -170.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -127.57 -15.16 5.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.983 2.513 . . . . 0.0 110.56 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 57' ' ' LEU . 28.8 t -71.06 -61.77 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -37.0 73.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -164.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 70' ' ' ILE . 4.9 mt -63.55 -37.25 86.61 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.983 0.513 . . . . 0.0 110.079 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 18.52 0.64 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.236 0.541 . . . . 0.0 111.989 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -1.79 3.12 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.458 -1.258 . . . . 0.0 113.348 165.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -152.31 -25.76 0.17 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 118.124 2.638 . . . . 0.0 118.124 -164.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.62 48.02 52.79 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 120.574 1.534 . . . . 0.0 114.377 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -83.98 174.5 10.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.79 1.295 . . . . 0.0 111.467 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.42 -55.34 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -76.74 27.08 0.13 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.383 1.473 . . . . 0.0 112.35 -167.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.478 HG21 HD11 ' A' ' 62' ' ' LEU . 6.2 tp -63.3 -31.28 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 O-C-N 120.325 -1.484 . . . . 0.0 109.87 -171.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -75.17 -18.05 60.26 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.303 0.641 . . . . 0.0 111.538 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -49.23 69.0 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 120.384 1.447 . . . . 0.0 110.505 -172.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.584 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.4 OUTLIER -60.56 -34.37 74.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.556 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.57 -14.11 56.14 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.214 0.915 . . . . 0.0 113.005 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -116.41 22.51 12.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.659 1.584 . . . . 0.0 109.093 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -135.82 -65.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.809 0.844 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.584 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.7 ptt? -61.57 -27.6 68.74 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 121.234 1.834 . . . . 0.0 112.552 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.24 -49.88 72.38 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.753 0.821 . . . . 0.0 108.901 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.36 -37.9 85.04 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.724 1.21 . . . . 0.0 112.125 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -66.6 -25.49 66.64 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.423 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -34.59 15.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.865 1.212 . . . . 0.0 110.837 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -16.14 62.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 123.612 0.765 . . . . 0.0 110.514 171.085 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 3.1 10.23 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.276 1.6 p 68.37 167.58 0.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.765 2.826 . . . . 0.0 111.3 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -172.98 -67.35 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.88 1.272 . . . . 0.0 108.521 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' HG12 ' A' ' 14' ' ' VAL . 20.4 m -113.17 134.2 54.68 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.702 2.001 . . . . 0.0 106.245 -167.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.82 -20.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.787 -0.571 . . . . 0.0 111.509 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 73' ' ' LEU . 9.8 p -49.84 -33.77 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 127.024 2.13 . . . . 0.0 112.285 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD23 HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -77.95 -54.6 6.12 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.083 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' CD2' ' HE1' ' A' ' 31' ' ' TRP . 1.4 mt -76.55 -41.12 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 127.083 2.153 . . . . 0.0 112.78 -161.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -62.18 -36.02 80.6 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.841 0.856 . . . . 0.0 109.832 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.6 -27.08 40.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 O-C-N 121.043 -1.036 . . . . 0.0 109.699 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -45.02 17.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.221 1.373 . . . . 0.0 108.518 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.5 -8.55 48.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.013 2.125 . . . . 0.0 112.414 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -67.6 -32.58 73.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.396 0.998 . . . . 0.0 110.221 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' A' ' 65' ' ' GLN . 2.1 mm? -105.48 -85.75 0.48 Allowed 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.509 0.595 . . . . 0.0 110.229 -165.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.6 35.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.176 1.79 . . . . 0.0 111.182 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.28 147.27 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -170.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.83 88.61 1.03 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.209 -1.814 . . . . 0.0 108.288 165.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 p -66.69 -33.27 75.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -74.06 29.76 0.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.661 1.184 . . . . 0.0 112.066 172.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -150.41 171.1 17.57 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.023 -1.673 . . . . 0.0 110.962 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.472 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.2 tm? -58.71 -56.55 20.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.068 -0.491 . . . . 0.0 109.708 -169.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.411 ' HE1' ' CD2' ' A' ' 16' ' ' LEU . 50.0 t90 -50.75 -37.75 43.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.705 0.684 . . . . 0.0 112.331 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.66 60.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 116.711 -1.614 . . . . 0.0 113.388 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.18 -43.59 10.17 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.488 1.495 . . . . 0.0 109.434 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.36 -54.35 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.127 0.892 . . . . 0.0 110.791 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.46 -25.39 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.731 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -44.35 15.92 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.401 1.455 . . . . 0.0 110.452 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.48 -12.06 59.59 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.649 -0.657 . . . . 0.0 111.477 -167.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.21 -57.11 14.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.066 0.936 . . . . 0.0 109.835 167.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -37.18 83.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -167.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -23.7 4.73 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 125.734 1.614 . . . . 0.0 112.49 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.07 -64.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.11 -33.81 72.63 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.338 1.055 . . . . 0.0 109.295 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.93 -0.63 56.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.943 1.697 . . . . 0.0 111.703 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 170.69 1.29 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.377 1.071 . . . . 0.0 112.621 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -62.52 -56.89 13.76 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.087 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -136.31 178.24 7.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.071 0.949 . . . . 0.0 110.89 -163.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 m -55.62 -61.89 2.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.258 1.423 . . . . 0.0 111.436 173.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -65.04 -46.2 82.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -171.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.44 -20.77 66.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.807 2.043 . . . . 0.0 112.109 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.81 -52.46 43.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 118.391 0.541 . . . . 0.0 110.41 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -84.87 -24.22 28.64 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.184 -0.948 . . . . 0.0 111.6 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.98 -18.72 59.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.643 1.177 . . . . 0.0 113.482 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.67 -33.7 14.96 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.896 -1.127 . . . . 0.0 112.193 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptp -68.46 -31.38 70.63 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.965 1.257 . . . . 0.0 112.408 -174.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.5 -32.09 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.495 1.518 . . . . 0.0 110.525 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.0 m -85.86 1.63 49.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.514 -1.366 . . . . 0.0 111.626 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.67 -46.23 6.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.12 1.768 . . . . 0.0 112.194 166.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.99 2.4 5.72 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 118.963 -2.336 . . . . 0.0 117.19 -167.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -114.36 -33.85 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.789 1.177 . . . . 0.0 110.737 172.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.97 -30.37 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 121.441 -0.787 . . . . 0.0 112.885 -172.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.462 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 2.3 mm? -70.66 -46.28 63.53 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.198 0.908 . . . . 0.0 108.734 170.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.3 -38.01 76.2 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 121.944 -0.473 . . . . 0.0 111.715 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.2 t -63.92 -5.18 4.07 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.674 1.59 . . . . 0.0 112.07 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.423 ' HE3' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -126.05 -3.35 6.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.608 1.163 . . . . 0.0 113.028 175.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 61' ' ' LEU . 3.9 pt20 -154.35 -16.47 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.84 59.61 8.47 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 120.019 1.281 . . . . 0.0 113.269 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 178.35 2.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.711 0.804 . . . . 0.0 111.633 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m -113.34 -62.52 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 118.75 -0.643 . . . . 0.0 112.154 170.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -66.97 20.74 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.423 3.089 . . . . 0.0 114.531 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tp -69.26 -23.15 26.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 120.611 -1.306 . . . . 0.0 110.924 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -81.98 -18.51 43.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 118.809 0.731 . . . . 0.0 109.058 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -29.74 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.704 -1.247 . . . . 0.0 110.761 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 14' ' ' VAL . 1.5 mp -53.09 -57.17 11.32 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.161 1.384 . . . . 0.0 110.459 171.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.3 p -52.8 -48.72 66.7 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.98 5.52 11.47 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 118.516 -1.274 . . . . 0.0 111.985 -172.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -107.96 -85.71 0.52 Allowed 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.747 1.619 . . . . 0.0 109.001 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE1' HD23 ' A' ' 73' ' ' LEU . 11.5 ptt? -59.84 -25.06 64.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.39 1.076 . . . . 0.0 113.347 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -46.58 32.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.657 -1.277 . . . . 0.0 109.12 176.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.32 -37.43 83.24 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.863 0.865 . . . . 0.0 110.05 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -77.45 -20.61 54.2 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 125.949 1.7 . . . . 0.0 113.305 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -36.92 24.66 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 121.812 2.096 . . . . 0.0 108.903 166.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -1.41 12.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.214 1.406 . . . . 0.0 114.163 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.547 0.836 0 CA-C-N 118.554 0.615 . . . . 0.0 111.648 178.734 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 122.492 1.139 . . . . 0.0 107.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.1 26.81 8.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p 44.92 35.8 1.66 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.281 2.232 . . . . 0.0 113.871 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -55.62 127.29 29.18 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.075 2.55 . . . . 0.0 105.729 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 m 54.67 110.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 129.876 3.27 . . . . 0.0 115.093 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -20.04 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 O-C-N 120.334 -1.479 . . . . 0.0 114.462 174.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 t -45.32 -43.74 3.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 124.493 1.117 . . . . 0.0 109.224 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -83.27 -44.74 14.61 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.091 0.957 . . . . 0.0 113.038 178.262 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -41.28 80.35 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.279 0.945 . . . . 0.0 111.179 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -34.21 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 117.268 -1.349 . . . . 0.0 112.449 174.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 70' ' ' ILE . 3.5 t -66.88 -5.74 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 120.555 1.525 . . . . 0.0 111.31 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -114.82 -37.87 4.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.949 1.704 . . . . 0.0 110.617 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -69.93 -28.15 65.35 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.142 1.777 . . . . 0.0 111.45 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.14 -18.61 58.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.828 1.251 . . . . 0.0 110.622 171.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.7 mm? -107.45 -86.66 0.49 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.786 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.88 28.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.511 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.72 149.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.25 1.02 . . . . 0.0 109.689 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.0 127.07 49.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -52.35 -48.55 65.46 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.094 1.358 . . . . 0.0 110.556 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -70.25 31.89 0.04 OUTLIER 'General case' 0 C--O 1.238 0.459 0 C-N-CA 129.852 3.261 . . . . 0.0 113.716 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -140.56 141.22 35.25 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.931 1.292 . . . . 0.0 108.348 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -24.54 16.15 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.46 -40.23 78.05 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 125.1 1.36 . . . . 0.0 111.592 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -58.02 -37.38 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.613 0.244 . . . . 0.0 111.282 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 -29.11 27.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -55.33 -21.96 17.16 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.668 1.587 . . . . 0.0 114.17 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.6 -50.1 3.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.05 -64.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.969 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.39 72.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.958 1.254 . . . . 0.0 111.685 -171.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -20.91 62.26 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 121.615 -0.678 . . . . 0.0 110.86 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -58.65 -59.11 5.92 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.779 0.718 . . . . 0.0 110.823 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -64.23 -27.88 69.36 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.8 -0.563 . . . . 0.0 111.743 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -62.29 -12.32 20.11 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.843 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -80.71 -46.78 21.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 121.46 1.936 . . . . 0.0 106.02 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.1 mm? -72.95 -10.12 59.45 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.304 1.042 . . . . 0.0 111.506 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -111.24 11.6 21.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.085 1.354 . . . . 0.0 110.653 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 176.7 4.6 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.087 -1.008 . . . . 0.0 112.043 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -85.79 -84.69 0.16 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.396 1.478 . . . . 0.0 109.394 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 49' ' ' GLU . 49.9 m-20 -79.65 173.7 12.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -69.74 -48.63 58.69 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.468 167.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -55.41 -47.82 75.31 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 15.1 tt0 -76.49 2.58 13.37 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.705 -0.622 . . . . 0.0 111.938 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.14 -62.22 1.57 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 108.699 164.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -70.32 -23.24 62.8 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.051 -1.031 . . . . 0.0 111.631 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.91 -16.53 18.06 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.852 -1.155 . . . . 0.0 113.469 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.99 -24.42 14.93 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 120.578 1.535 . . . . 0.0 112.373 169.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.8 ptp -69.14 -37.05 78.08 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 121.234 1.834 . . . . 0.0 110.947 173.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.01 -14.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-O 121.729 0.775 . . . . 0.0 110.118 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.1 m -78.27 3.61 14.96 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 119.829 -1.795 . . . . 0.0 112.809 167.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.42 -50.8 2.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.577 1.989 . . . . 0.0 113.739 -169.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.43 6.96 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.978 1.711 . . . . 0.0 115.172 178.082 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -133.77 7.65 3.79 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 126.53 1.932 . . . . 0.0 112.847 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.72 -22.19 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 119.811 -1.806 . . . . 0.0 113.365 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' C ' ' A' ' 61' ' ' LEU 0.267 0.0 OUTLIER -111.36 -36.6 5.51 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.292 1.437 . . . . 0.0 110.665 -172.106 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -22.96 66.61 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.333 1.453 . . . . 0.0 111.223 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -64.63 -32.58 74.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.982 2.913 . . . . 0.0 108.162 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.99 -0.71 57.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.209 -0.901 . . . . 0.0 112.358 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 66' ' ' GLY . 2.5 pt20 -146.03 -85.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.855 1.207 . . . . 0.0 113.269 -167.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.493 ' H ' ' HG3' ' A' ' 65' ' ' GLN . . . 120.67 92.89 1.31 Allowed Glycine 0 C--N 1.341 0.845 0 C-N-CA 126.035 1.778 . . . . 0.0 111.653 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.6 176.12 7.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.707 1.603 . . . . 0.0 112.587 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.78 -34.67 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.95 24.35 12.92 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.29 -1.506 . . . . 0.0 110.147 -166.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.443 ' CD1' HG11 ' A' ' 18' ' ' VAL . 9.1 tp -61.43 -28.28 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 123.077 1.417 . . . . 0.0 111.297 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -75.76 -15.14 60.31 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.989 1.715 . . . . 0.0 111.111 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -40.85 54.08 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 120.492 -1.38 . . . . 0.0 110.493 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.37 -31.76 72.23 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.92 171.5 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.7 m -59.07 -57.59 12.38 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.524 1.057 . . . . 0.0 110.084 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.38 -16.84 63.04 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.363 1.04 . . . . 0.0 111.818 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -73.25 -72.24 0.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.024 0.829 . . . . 0.0 108.92 167.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -68.32 -21.42 64.75 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 120.015 -1.678 . . . . 0.0 113.958 -164.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -51.56 58.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 119.87 1.214 . . . . 0.0 108.818 170.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.79 -39.81 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.26 1.024 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.37 -18.16 65.19 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.128 0.971 . . . . 0.0 112.686 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.93 -28.36 9.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.708 1.14 . . . . 0.0 111.584 174.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.44 63.27 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 124.529 1.132 . . . . 0.0 111.912 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 124.763 1.225 . . . . 0.0 109.768 179.471 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.439 -1.013 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.65 10.33 17.98 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.297 1.8 p 67.41 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 129.018 2.927 . . . . 0.0 112.623 -171.128 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.388 0.6 OUTLIER 75.24 -162.08 0.06 Allowed 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.856 1.662 . . . . 0.0 110.385 171.52 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -44.46 127.47 5.91 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 131.232 3.813 . . . . 0.0 109.252 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -59.16 -22.34 21.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.83 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -50.02 -31.98 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.543 1.537 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.4 -51.08 6.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.825 1.298 . . . . 0.0 108.78 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 10' ' ' CYS . 2.9 mt -62.62 -41.83 99.23 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.896 -166.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -50.87 -39.48 54.03 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.574 1.949 . . . . 0.0 110.893 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.13 -34.72 72.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 C-N-CA 125.716 1.606 . . . . 0.0 111.326 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -44.51 17.69 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 120.765 -1.209 . . . . 0.0 109.577 177.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.91 -29.59 70.54 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.122 1.369 . . . . 0.0 112.19 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -67.85 -9.18 42.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.806 1.184 . . . . 0.0 111.567 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' A' ' 21' ' ' GLN . 2.8 mm? -108.93 -86.71 0.51 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.21 24.81 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.184 1.394 . . . . 0.0 112.017 -171.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.97 135.73 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 119.017 0.826 . . . . 0.0 111.31 -167.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.66 89.17 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.381 1.872 . . . . 0.0 108.115 165.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 p -64.18 -17.0 63.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.825 0.85 . . . . 0.0 111.104 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 4.61 49.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.372 1.869 . . . . 0.0 113.318 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -116.14 158.57 23.02 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.104 1.32 . . . . 0.0 109.099 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -28.02 26.24 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 30' ' ' LEU . 2.5 tm? -51.31 -44.29 61.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.761 0.825 . . . . 0.0 111.473 -175.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.18 -49.35 77.34 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.45 -0.781 . . . . 0.0 111.186 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -68.6 -34.06 75.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.374 0.67 . . . . 0.0 112.498 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -52.58 -27.69 17.85 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 127.068 2.147 . . . . 0.0 111.349 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -54.22 4.48 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 32' ' ' ALA . 13.0 p -64.7 -48.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.999 0.904 . . . . 0.0 111.53 -169.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -27.02 68.69 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.309 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 57' ' ' LEU . 12.3 tp -88.48 -16.63 32.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.375 0.67 . . . . 0.0 110.815 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.98 -52.94 23.59 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.012 1.325 . . . . 0.0 110.027 170.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.78 -37.8 88.74 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.059 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.06 -3.83 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.886 1.274 . . . . 0.0 111.935 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -74.47 -58.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 125.642 1.577 . . . . 0.0 109.194 167.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.8 mt -71.04 -38.72 72.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.301 -0.874 . . . . 0.0 109.539 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.8 10.42 4.14 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.04 1.736 . . . . 0.0 110.851 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.89 170.05 10.42 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.489 1.138 . . . . 0.0 112.82 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -62.26 -57.44 11.39 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 127.359 2.264 . . . . 0.0 112.241 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -147.49 166.93 25.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.525 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 4.4 m -50.61 -52.03 43.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.835 1.254 . . . . 0.0 112.673 173.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 t -63.11 -42.05 99.49 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -172.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.62 -25.36 41.45 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 122.235 -0.29 . . . . 0.0 110.729 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.34 -70.3 0.15 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -18.74 61.51 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.015 -165.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.82 -53.95 10.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.322 1.449 . . . . 0.0 111.386 171.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -75.68 -14.88 60.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.404 -0.81 . . . . 0.0 112.68 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -75.4 -48.02 24.79 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 120.429 -1.42 . . . . 0.0 110.501 171.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 m -77.5 -13.28 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -74.34 -49.72 21.7 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 165.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.69 -26.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -164.659 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -56.67 -26.21 55.84 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.172 -1.58 . . . . 0.0 110.586 177.104 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.5 t -91.1 -30.12 16.91 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.257 1.823 . . . . 0.0 109.8 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.97 -1.26 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 121.701 0.762 . . . . 0.0 111.147 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.427 HD23 HD21 ' A' ' 30' ' ' LEU . 23.6 mt -132.64 -57.59 0.94 Allowed 'General case' 0 CA--C 1.5 -0.947 0 C-N-CA 126.693 1.997 . . . . 0.0 110.334 -163.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.32 -29.23 63.78 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.064 0.847 . . . . 0.0 110.068 174.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -66.02 -43.08 88.67 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.045 0.841 . . . . 0.0 109.009 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -18.46 40.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.559 1.143 . . . . 0.0 113.086 -174.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -138.23 -23.33 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.462 2.393 . . . . 0.0 117.462 -166.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.56 60.79 8.36 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 119.851 1.205 . . . . 0.0 112.822 -170.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.06 -179.78 7.51 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.891 0.876 . . . . 0.0 110.813 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.67 -51.61 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 123.743 0.817 . . . . 0.0 111.383 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -74.21 13.13 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.437 1.495 . . . . 0.0 113.874 -164.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.75 -25.17 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 120.253 -1.53 . . . . 0.0 112.302 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -22.27 54.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 117.183 -1.389 . . . . 0.0 111.115 178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.05 -52.2 60.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 121.206 1.821 . . . . 0.0 110.357 -167.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -59.14 -35.11 72.92 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.665 0.386 . . . . 0.0 111.361 172.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.38 1.12 10.3 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.438 1.095 . . . . 0.0 113.151 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -117.46 8.69 13.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.585 0.754 . . . . 0.0 110.019 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -104.5 -65.84 1.0 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.421 1.488 . . . . 0.0 108.899 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -69.48 -16.23 63.42 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.745 0.818 . . . . 0.0 112.29 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -53.54 16.31 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.52 -39.81 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.898 0.856 . . . . 0.0 110.727 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -69.3 -23.69 63.85 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.072 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.525 ' CZ ' HG23 ' A' ' 47' ' ' THR . 9.8 ptt85 -74.87 -32.9 62.0 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 122.018 2.19 . . . . 0.0 110.289 168.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 -26.24 60.73 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.633 0.773 . . . . 0.0 111.485 -167.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.504 0.593 . . . . 0.0 110.862 178.737 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG12 ' HB3' ' A' ' 36' ' ' GLN . 16.0 m . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 122.311 1.053 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 18.06 14.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.131 0.973 . . . . 0.0 113.376 -168.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.0 m 59.36 148.73 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.963 2.905 . . . . 0.0 113.032 -175.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 p -138.18 -84.81 0.29 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.632 -0.668 . . . . 0.0 110.135 -156.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -113.48 134.03 54.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 129.305 3.042 . . . . 0.0 106.359 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.6 -17.24 21.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-O 116.787 -1.578 . . . . 0.0 113.418 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -44.74 -51.01 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 124.396 1.079 . . . . 0.0 108.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -47.91 18.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.789 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.83 -32.62 67.78 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.788 0.722 . . . . 0.0 112.531 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -59.41 -39.24 82.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.378 1.471 . . . . 0.0 110.208 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.97 -33.66 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 119.731 1.15 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.573 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.5 mm? -78.4 -50.72 11.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.332 -0.855 . . . . 0.0 109.861 -174.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.23 -19.01 63.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.721 1.208 . . . . 0.0 112.421 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.94 -2.23 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 128.083 2.553 . . . . 0.0 111.662 166.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 65' ' ' GLN 0.256 0.0 OUTLIER -125.56 -85.1 0.63 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 111.607 152.676 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -22.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.171 1.388 . . . . 0.0 112.911 -176.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 19' ' ' LEU 0.338 3.1 p 43.88 -174.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 130.326 3.45 . . . . 0.0 113.669 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 34.4 mt-10 -126.39 105.97 9.16 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 127.705 2.402 . . . . 0.0 108.079 167.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -53.34 -50.2 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.57 1.148 . . . . 0.0 109.088 164.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 m -73.68 69.89 1.33 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.836 1.654 . . . . 0.0 109.777 170.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 t -159.17 169.06 25.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 164.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -32.1 68.78 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.0 155.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.7 tm? -56.85 -58.5 7.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.728 0.694 . . . . 0.0 112.08 -167.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -50.7 -38.2 45.64 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.146 0.885 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.47 56.03 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 118.207 -0.901 . . . . 0.0 112.253 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -45.7 -34.71 3.71 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.899 1.68 . . . . 0.0 111.739 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -59.56 2.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.16 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 10' ' ' CYS . 4.7 p -62.51 -40.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 124.099 0.96 . . . . 0.0 112.952 -173.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -63.26 -32.79 74.28 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.166 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 3.0 tt -91.68 -30.92 16.04 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.967 -0.458 . . . . 0.0 110.416 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -51.41 -50.95 58.66 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.854 1.262 . . . . 0.0 109.553 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -73.41 -32.41 64.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.142 -1.409 . . . . 0.0 112.432 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 4.6 m-20 -59.33 -19.98 50.83 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.406 1.457 . . . . 0.0 111.326 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.05 -63.6 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 120.1 1.318 . . . . 0.0 108.544 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.27 -19.46 64.71 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.914 -0.491 . . . . 0.0 110.533 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.35 19.04 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.254 2.222 . . . . 0.0 110.228 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.94 178.76 1.67 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.93 1.348 . . . . 0.0 111.381 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -77.75 -50.83 11.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.526 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.74 170.72 18.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.137 1.375 . . . . 0.0 108.302 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -52.72 -52.66 55.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.423 1.489 . . . . 0.0 111.558 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -62.16 -43.9 97.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -172.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.46 -29.98 65.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.852 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -60.72 3.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.198 0.599 . . . . 0.0 109.715 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.44 -23.92 58.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.034 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.52 -42.94 64.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.746 0.703 . . . . 0.0 110.39 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -45.91 92.13 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 121.286 -0.884 . . . . 0.0 112.004 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.97 -34.49 77.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.799 0.727 . . . . 0.0 111.035 -172.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.55 -22.72 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.5 m -89.9 23.65 2.68 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.071 -1.643 . . . . 0.0 112.831 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.16 -54.86 1.28 Allowed 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.685 -1.259 . . . . 0.0 109.747 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 8.25 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.789 2.436 . . . . 0.0 115.121 -170.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.25 -28.16 4.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 127.748 2.419 . . . . 0.0 111.468 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.09 -56.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 CA-C-N 119.667 1.121 . . . . 0.0 108.656 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 30' ' ' LEU . 1.2 mt -61.05 -43.0 99.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.193 1.397 . . . . 0.0 108.107 -172.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 70' ' ' ILE . 4.6 mt -64.84 -36.69 85.16 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.275 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -71.69 -1.22 13.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 123.958 0.786 . . . . 0.0 111.961 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -12.66 12.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.246 1.385 . . . . 0.0 112.609 171.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' HB2' ' A' ' 67' ' ' ALA . 5.6 pt20 -149.66 -24.01 0.27 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 -166.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.98 55.53 25.47 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.767 1.621 . . . . 0.0 111.724 -170.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . . . -87.76 168.58 12.83 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.174 1.389 . . . . 0.0 109.504 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.5 -45.55 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -163.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.14 19.0 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.715 1.606 . . . . 0.0 113.145 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 62' ' ' LEU . 7.2 tp -63.89 -30.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 120.5 -1.375 . . . . 0.0 113.011 -162.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -81.29 -18.68 45.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.631 1.573 . . . . 0.0 111.418 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -63.21 -53.12 58.12 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.66 1.118 . . . . 0.0 109.405 -171.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -31.63 65.06 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 118.587 -0.721 . . . . 0.0 112.824 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.67 -51.7 68.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.033 0.833 . . . . 0.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.99 -6.45 47.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.974 0.51 . . . . 0.0 111.925 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.31 -73.36 0.36 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 166.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -59.7 -34.61 73.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -170.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.63 -29.23 69.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.422 1.01 . . . . 0.0 111.618 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.77 -36.93 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.346 0.593 . . . . 0.0 110.229 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.21 -24.7 67.77 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.894 0.878 . . . . 0.0 112.447 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -43.98 16.96 Favored 'General case' 0 CA--C 1.523 -0.076 0 CA-C-N 119.079 0.854 . . . . 0.0 110.881 167.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.73 70.29 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.464 -0.772 . . . . 0.0 112.716 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 124.559 1.143 . . . . 0.0 111.09 175.02 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.442 -0.846 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.45 23.76 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.9 m 58.54 149.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.394 2.278 . . . . 0.0 112.814 -167.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -165.58 156.86 14.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.833 1.653 . . . . 0.0 106.936 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t 49.62 174.55 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.313 2.245 . . . . 0.0 110.543 -166.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.94 -12.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 O-C-N 120.037 -1.665 . . . . 0.0 109.969 165.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -55.45 -34.11 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.203 1.001 . . . . 0.0 109.35 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 -42.85 12.25 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 172.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.1 -34.63 78.5 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 112.275 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -23.28 65.02 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.545 -0.722 . . . . 0.0 112.069 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.97 -27.84 40.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 C-N-CA 124.252 1.021 . . . . 0.0 109.684 167.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.13 -48.89 7.69 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.869 -1.769 . . . . 0.0 110.116 -169.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.41 -21.12 66.1 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.346 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG3' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -71.2 -24.74 62.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.12 1.327 . . . . 0.0 111.638 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' HG3' ' A' ' 21' ' ' GLN . 1.4 mm? -117.84 8.34 12.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.146 1.339 . . . . 0.0 113.614 -175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 71.72 42.92 0.61 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.901 2.08 . . . . 0.0 109.724 160.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -47.66 148.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.929 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.06 82.53 0.97 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 p -62.65 -10.83 13.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.861 1.664 . . . . 0.0 112.181 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 m -114.45 14.3 17.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.538 2.335 . . . . 0.0 111.671 -173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.18 174.67 10.27 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.311 1.444 . . . . 0.0 109.944 -165.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.94 62.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.676 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -46.3 88.22 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 119.607 -0.837 . . . . 0.0 113.204 -166.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -55.11 -33.57 62.95 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.699 -0.626 . . . . 0.0 111.001 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.45 -22.02 30.48 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -54.48 -24.02 18.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 111.509 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.9 t -92.67 -63.02 1.28 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.255 1.022 . . . . 0.0 110.253 172.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.69 -32.04 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 117.882 -1.056 . . . . 0.0 112.352 -153.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -37.98 85.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.748 1.158 . . . . 0.0 109.774 171.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 53' ' ' LYS . 7.3 tp -77.88 -23.49 48.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.739 1.215 . . . . 0.0 111.621 -170.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.83 -50.77 72.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.819 1.248 . . . . 0.0 109.931 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -59.99 -41.86 92.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.94 0.876 . . . . 0.0 110.01 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.93 -9.43 54.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.356 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mm -73.3 -63.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.292 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.07 -25.37 68.34 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -168.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.33 -60.64 1.97 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.25 -153.81 0.03 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.157 0.983 . . . . 0.0 113.589 -173.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -132.81 -54.97 0.94 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.494 1.917 . . . . 0.0 106.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.31 168.11 12.45 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.243 1.817 . . . . 0.0 106.43 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -59.76 -50.84 72.24 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.054 -0.404 . . . . 0.0 110.812 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -57.79 -48.82 78.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.57 -0.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.149 1.379 . . . . 0.0 111.921 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.75 -74.84 0.18 Allowed 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.223 -1.548 . . . . 0.0 108.325 161.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -69.78 -22.91 63.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 121.876 -0.515 . . . . 0.0 111.945 -170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.39 -30.14 51.04 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.101 -0.999 . . . . 0.0 111.964 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HB3' HD11 ' A' ' 37' ' ' LEU . 34.8 mttp -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.195 0.907 . . . . 0.0 111.326 173.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.7 ptp -66.79 -35.4 79.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.132 0.424 . . . . 0.0 111.078 -172.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 49.0 t -65.56 -14.87 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.37 0.668 . . . . 0.0 110.434 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.1 m -107.81 22.33 16.12 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.125 1.77 . . . . 0.0 111.629 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -46.38 1.79 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.444 1.498 . . . . 0.0 107.391 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -75.27 8.57 2.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -165.804 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -123.61 -43.3 2.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.913 1.685 . . . . 0.0 110.318 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.33 -45.69 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 118.945 0.793 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -47.03 88.26 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 117.901 0.318 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.78 -32.77 67.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.261 0.624 . . . . 0.0 109.781 -174.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -75.34 3.69 8.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 123.338 0.655 . . . . 0.0 112.076 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -14.71 13.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 120.687 -1.258 . . . . 0.0 111.443 167.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.3 -23.87 0.17 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 119.654 3.205 . . . . 0.0 119.654 -159.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.53 64.26 4.14 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.617 1.553 . . . . 0.0 113.5 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -84.27 -169.33 2.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.829 -0.806 . . . . 0.0 112.166 174.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.77 -51.12 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.541 0 C-N-CA 124.563 1.145 . . . . 0.0 111.09 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 14.18 1.95 Allowed 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.591 1.182 . . . . 0.0 108.224 -157.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.75 -31.7 50.04 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 120.735 -1.228 . . . . 0.0 110.968 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.15 -27.67 63.72 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.323 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.39 -49.73 70.42 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 118.725 0.693 . . . . 0.0 110.539 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -27.6 68.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.937 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.7 m -59.73 -51.48 69.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.873 0.761 . . . . 0.0 109.104 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -77.63 -6.72 54.77 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.707 0.803 . . . . 0.0 112.864 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -71.48 -69.87 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 156.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -69.11 -24.59 64.14 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -159.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -39.16 77.43 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 119.74 1.154 . . . . 0.0 111.413 173.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.52 -40.89 56.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.397 0.617 . . . . 0.0 109.729 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -65.97 -11.12 45.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.735 1.214 . . . . 0.0 112.858 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -34.27 8.84 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 120.096 1.316 . . . . 0.0 112.184 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.56 71.46 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.295 0.638 . . . . 0.0 112.073 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 125.718 1.607 . . . . 0.0 111.535 174.67 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.71 1.2 20.98 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 125.2 1.4 . . . . 0.0 112.119 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.08 16.84 5.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.185 1.394 . . . . 0.0 113.205 173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.301 4.3 t 43.71 -86.52 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.87 3.268 . . . . 0.0 114.08 155.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -139.0 143.94 38.69 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 129.506 3.123 . . . . 0.0 107.505 -164.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.741 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.08 -34.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 119.635 1.107 . . . . 0.0 111.667 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.17 -55.17 8.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 119.94 -1.725 . . . . 0.0 107.051 175.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.73 -37.13 85.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 112.61 -2.086 . . . . 0.0 111.696 -160.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -54.54 -39.31 67.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 128.735 2.814 . . . . 0.0 111.555 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.18 -31.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 125.819 1.648 . . . . 0.0 111.29 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -82.39 -48.23 11.38 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.552 -0.718 . . . . 0.0 109.435 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -66.1 -16.64 64.12 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.983 0.913 . . . . 0.0 111.998 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -15.59 31.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 120.05 1.295 . . . . 0.0 112.05 174.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -116.29 -85.94 0.62 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.927 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.6 18.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.953 0.901 . . . . 0.0 113.323 -163.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 19' ' ' LEU . 13.0 p -52.58 162.63 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.789 -1.194 . . . . 0.0 111.595 -172.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 27' ' ' SER . 28.1 mt-10 -121.91 116.94 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.319 1.047 . . . . 0.0 111.557 -173.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -69.47 30.6 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.068 1.747 . . . . 0.0 112.637 164.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 25' ' ' GLU . 6.8 t -140.4 10.39 2.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.413 1.885 . . . . 0.0 110.84 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -134.09 145.16 49.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.989 -1.07 . . . . 0.0 108.654 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.64 -29.96 4.92 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 61' ' ' LEU . 2.1 tm? -53.49 -51.16 63.67 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.051 1.34 . . . . 0.0 111.47 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -49.74 -50.04 45.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.016 0.826 . . . . 0.0 110.912 176.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.92 76.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.84 -39.22 11.58 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.437 1.495 . . . . 0.0 110.248 -177.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.2 -49.59 16.76 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.444 0.465 . . . . 0.0 110.773 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.21 -50.41 68.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 124.339 1.055 . . . . 0.0 111.5 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -43.46 98.84 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' LYS . 5.8 tt -65.79 -32.84 74.61 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.725 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -56.73 -51.96 66.83 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.425 1.011 . . . . 0.0 111.065 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -68.17 -32.45 72.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.464 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.77 -7.37 26.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.577 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.19 -63.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 121.369 1.895 . . . . 0.0 107.423 166.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.45 -22.04 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.43 0.692 . . . . 0.0 110.61 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.8 17.21 23.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.41 1.884 . . . . 0.0 110.83 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.04 -176.81 1.2 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.593 1.187 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -71.06 -51.17 26.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.529 1.932 . . . . 0.0 112.253 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.38 173.04 12.63 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 129.177 2.991 . . . . 0.0 109.116 -166.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -55.39 -55.59 29.83 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.645 1.178 . . . . 0.0 112.344 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 t -68.89 -46.91 67.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -166.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.26 3.88 16.68 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.181 0.515 . . . . 0.0 110.872 -174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.63 1.37 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 164.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -69.78 -27.06 64.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.89 -0.506 . . . . 0.0 111.795 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.98 -9.38 21.17 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.954 -1.092 . . . . 0.0 113.267 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HB3' HD21 ' A' ' 37' ' ' LEU . 36.4 mttm -78.48 -40.21 36.12 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.832 1.196 . . . . 0.0 112.669 163.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.5 ptp -69.27 -38.51 78.41 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.717 -1.24 . . . . 0.0 110.711 -170.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.71 -16.51 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 126.809 2.044 . . . . 0.0 114.401 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -85.44 -48.96 8.49 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 126.015 1.726 . . . . 0.0 109.406 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 60' ' ' VAL 0.276 1.4 pp -62.39 -43.89 97.76 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.284 0.947 . . . . 0.0 112.157 -176.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -60.16 -12.48 8.67 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -172.145 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' HD12 ' A' ' 58' ' ' LEU . 40.6 t -98.45 -50.45 4.3 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 125.493 1.517 . . . . 0.0 108.188 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LEU . 5.5 p -57.94 -41.23 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.61 -58.21 8.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 119.041 0.837 . . . . 0.0 109.656 176.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.1 -21.3 66.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.932 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -80.57 -1.56 42.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.174 0.99 . . . . 0.0 112.168 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -9.43 8.58 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 120.161 1.346 . . . . 0.0 112.934 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -150.93 -30.56 0.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.07 63.52 3.94 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 118.48 0.582 . . . . 0.0 112.134 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.95 19.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.508 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.6 m -104.09 -59.01 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.841 0.746 . . . . 0.0 112.356 173.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -74.02 23.91 0.08 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.883 2.073 . . . . 0.0 114.149 -167.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.42 -26.77 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 120.542 -1.349 . . . . 0.0 112.097 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -5.75 58.79 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.712 0.805 . . . . 0.0 112.525 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -75.25 -59.37 2.77 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 119.901 1.228 . . . . 0.0 109.155 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -21.73 4.35 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.448 1.099 . . . . 0.0 113.651 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.37 -47.49 81.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.773 0.715 . . . . 0.0 109.855 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -67.37 -27.08 66.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.77 0.713 . . . . 0.0 110.63 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -63.7 -85.2 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.972 0.805 . . . . 0.0 109.304 160.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -62.39 -32.24 73.02 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.041 -1.662 . . . . 0.0 114.067 -159.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -48.89 52.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.34 -31.84 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.607 -0.683 . . . . 0.0 110.372 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -18.8 63.98 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.261 -0.899 . . . . 0.0 112.931 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -88.63 -37.13 15.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 119.624 1.102 . . . . 0.0 111.16 164.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -21.83 65.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.333 1.053 . . . . 0.0 113.382 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.18 0.992 . . . . 0.0 110.557 178.741 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.438 -1.027 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -0.16 35.81 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 175.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.578 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.33 1.6 p 61.96 175.45 0.13 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.655 2.782 . . . . 0.0 112.372 -173.403 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -163.14 -53.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -154.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 15' ' ' LEU . 19.1 m -127.53 95.43 4.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -154.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.97 -29.66 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.936 -166.242 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.9 -51.2 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 124.375 1.047 . . . . 0.0 108.379 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -69.26 -41.99 76.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.909 2.484 . . . . 0.0 111.895 -176.051 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' HG ' ' A' ' 15' ' ' LEU . 4.1 mm? -67.93 -47.98 67.21 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.842 0.857 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -39.63 56.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.815 1.646 . . . . 0.0 111.782 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 18' ' ' VAL . 6.9 t -53.82 -38.96 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 119.569 1.077 . . . . 0.0 112.28 174.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.4 mt -85.64 -43.67 13.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.94 -28.75 67.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.687 1.195 . . . . 0.0 111.035 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -27.9 43.03 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 119.349 0.977 . . . . 0.0 111.75 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -103.11 -81.66 0.5 Allowed 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.85 6.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -165.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -45.35 135.71 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 124.587 1.155 . . . . 0.0 112.13 -164.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -93.15 115.21 27.85 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 p -55.47 -33.64 63.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.577 0.751 . . . . 0.0 110.27 164.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -58.51 -7.47 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.44 2.296 . . . . 0.0 114.175 171.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.9 t -118.22 147.06 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.446 1.475 . . . . 0.0 108.351 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -26.54 5.04 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.013 168.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD11 HD12 ' A' ' 61' ' ' LEU . 2.3 tm? -54.69 -45.31 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.274 1.03 . . . . 0.0 111.179 -174.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -51.37 -56.0 15.5 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.33 73.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.261 1.024 . . . . 0.0 113.571 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -50.95 -43.94 60.34 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 125.596 1.558 . . . . 0.0 108.265 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -4.93 58.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.668 -172.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.24 -51.94 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -40.81 70.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.6 -11.24 59.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.608 1.163 . . . . 0.0 112.249 -173.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -71.62 -45.61 61.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.42 -0.8 . . . . 0.0 109.047 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.86 -46.9 86.67 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -8.21 1.8 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.858 1.663 . . . . 0.0 114.052 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.32 -49.37 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.669 1.122 . . . . 0.0 108.842 168.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.8 -31.87 72.78 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.763 1.625 . . . . 0.0 109.792 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -99.35 13.31 33.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.972 1.309 . . . . 0.0 111.265 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 156.52 38.87 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.678 0.391 . . . . 0.0 110.792 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -61.09 -46.1 92.04 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 123.966 0.906 . . . . 0.0 112.068 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -143.54 -176.25 4.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 109.033 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -64.53 -55.72 18.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.31 1.444 . . . . 0.0 112.087 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t -55.49 -47.97 75.33 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.25 -17.98 64.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.622 1.569 . . . . 0.0 112.625 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.53 -72.2 0.19 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.328 0.967 . . . . 0.0 109.557 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -67.6 -20.84 65.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.264 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 -21.7 2.09 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -103.63 -27.61 12.21 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 119.399 1.0 . . . . 0.0 113.208 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ptp -64.0 -40.86 97.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.222 1.374 . . . . 0.0 109.945 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.61 -6.52 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 125.163 1.385 . . . . 0.0 110.829 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -109.14 8.73 26.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.543 1.137 . . . . 0.0 114.063 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -117.41 -39.28 3.19 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.747 1.612 . . . . 0.0 109.02 176.625 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 5.31 0.38 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 127.418 2.287 . . . . 0.0 115.655 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.79 -3.87 4.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 112.521 172.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 57' ' ' LEU . 7.2 p -66.16 -42.99 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 120.379 1.445 . . . . 0.0 107.353 159.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD12 HD11 ' A' ' 30' ' ' LEU . 2.0 mm? -60.7 -52.71 63.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 70' ' ' ILE . 10.1 mt -68.97 -13.53 62.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -168.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -94.51 -2.09 52.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.443 1.097 . . . . 0.0 110.775 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.28 -35.53 6.26 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.631 1.172 . . . . 0.0 110.871 169.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.6 -18.18 2.2 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 117.33 2.345 . . . . 0.0 117.33 -167.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.83 56.15 26.71 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.691 1.132 . . . . 0.0 114.843 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 177.12 3.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.047 0.939 . . . . 0.0 112.802 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 p -123.49 -47.21 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.956 0 C-N-CA 126.01 1.724 . . . . 0.0 111.406 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.31 21.1 1.48 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.029 -159.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.491 HG13 HD21 ' A' ' 62' ' ' LEU . 8.8 mm -46.41 -48.62 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.786 164.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.49 -14.53 62.56 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.172 -166.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -70.91 0.22 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.124 0.969 . . . . 0.0 108.937 174.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -49.54 -32.83 13.25 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.46 1.104 . . . . 0.0 113.087 -176.062 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 86.0 m -54.89 -56.98 13.56 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.735 1.214 . . . . 0.0 108.982 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.23 -11.3 59.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.995 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -88.1 -62.79 1.41 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.35 1.432 . . . . 0.0 108.268 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.51 ' CE ' HD12 ' A' ' 73' ' ' LEU . 18.1 ptt? -66.96 -22.68 65.92 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.2 -1.562 . . . . 0.0 113.32 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.62 -23.98 45.59 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.722 0.692 . . . . 0.0 112.041 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -36.01 12.25 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 118.425 0.557 . . . . 0.0 110.539 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.62 -26.39 21.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.238 1.415 . . . . 0.0 111.367 173.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -37.93 11.33 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.733 0.697 . . . . 0.0 112.068 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.75 66.84 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.193 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 124.426 1.09 . . . . 0.0 110.223 -179.658 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 122.542 1.163 . . . . 0.0 108.713 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -3.93 20.42 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 113.856 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 m 45.72 69.51 0.45 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 125.633 1.833 . . . . 0.0 108.615 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -103.66 152.62 21.57 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.662 2.385 . . . . 0.0 105.861 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 t 52.2 -172.36 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 124.138 1.923 . . . . 0.0 109.365 -153.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.97 -12.2 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 C-N-CA 127.965 2.506 . . . . 0.0 108.067 169.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 HD23 ' A' ' 15' ' ' LEU . 7.4 p -60.72 -27.88 41.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.367 0.531 . . . . 0.0 110.735 -176.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -82.88 -61.8 1.77 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 168.705 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -42.32 73.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -164.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -53.24 -40.13 64.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.495 1.118 . . . . 0.0 111.152 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 22' ' ' LEU . 5.1 t -66.09 -22.63 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.225 1.01 . . . . 0.0 111.363 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.52 -38.62 12.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 121.146 1.794 . . . . 0.0 110.214 175.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.13 -28.31 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.154 1.781 . . . . 0.0 111.51 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.86 -23.77 54.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.734 2.014 . . . . 0.0 109.757 171.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.491 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 1.8 mm? -132.33 11.72 4.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 114.703 -170.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.491 ' HD2' ' C ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 62.85 46.11 5.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.65 1.691 . . . . 0.0 111.202 161.461 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 30' ' ' LEU . 5.7 p -44.05 161.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 111.103 -2.771 . . . . 0.0 111.216 162.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.28 104.2 11.84 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -168.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -57.91 -23.5 53.58 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 m -83.85 8.6 14.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.67 1.588 . . . . 0.0 112.959 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -124.1 153.17 41.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.646 1.566 . . . . 0.0 110.586 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -29.3 10.69 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.352 172.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 24' ' ' VAL . 1.7 tm? -53.6 -45.43 70.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.224 1.009 . . . . 0.0 111.641 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -66.0 -24.26 66.74 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.946 -1.096 . . . . 0.0 112.49 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.69 -35.75 24.26 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.058 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -49.7 -24.04 2.08 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.394 2.277 . . . . 0.0 113.825 -171.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -54.09 2.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.761 0.663 . . . . 0.0 111.192 172.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.54 -44.18 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.961 0.904 . . . . 0.0 112.51 -175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -28.86 27.39 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD13 HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -72.7 -27.15 61.89 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.785 176.211 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -54.72 -60.98 2.62 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.498 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.04 -32.78 74.23 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.069 0.849 . . . . 0.0 110.973 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -11.83 19.83 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.67 -46.73 30.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 121.963 2.165 . . . . 0.0 106.127 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -72.35 -23.07 61.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.247 1.819 . . . . 0.0 110.574 -176.437 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.28 11.33 36.88 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 110.298 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 166.67 22.36 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.025 -1.047 . . . . 0.0 111.372 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -81.52 -51.88 7.81 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.875 1.27 . . . . 0.0 111.441 -174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.16 -176.59 2.94 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.717 1.607 . . . . 0.0 108.082 -169.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -73.71 -61.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.603 -0.685 . . . . 0.0 109.189 165.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.437 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 6.8 t -56.72 -43.32 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.178 0.514 . . . . 0.0 110.38 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.08 -15.66 63.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.225 1.01 . . . . 0.0 111.751 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.76 -58.3 3.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.883 0.873 . . . . 0.0 110.101 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 48' ' ' THR . 13.2 p90 -68.22 -29.48 68.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.364 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.58 -24.05 2.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.459 1.504 . . . . 0.0 114.064 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -28.5 13.79 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 111.626 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 ptp -70.28 -35.66 73.88 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.016 -1.677 . . . . 0.0 111.679 172.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.0 m -69.28 -3.73 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 120.665 -1.272 . . . . 0.0 113.668 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -115.87 12.99 15.96 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 131.282 3.833 . . . . 0.0 112.786 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 58' ' ' LEU . 3.1 pp -121.97 -37.51 2.84 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.729 1.212 . . . . 0.0 111.581 169.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.5 pt? -60.14 -31.61 70.25 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 118.945 0.793 . . . . 0.0 111.773 -172.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -69.38 -43.05 74.32 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.03 -37.68 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 128.947 2.899 . . . . 0.0 111.38 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 21.3 mt -70.59 -63.5 1.08 Allowed 'General case' 0 CA--C 1.485 -1.539 0 C-N-CA 127.454 2.302 . . . . 0.0 106.176 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.33 -24.99 21.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.799 1.181 . . . . 0.0 111.537 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -77.3 -0.86 27.04 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.448 ' HE2' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -124.26 -22.71 4.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.684 2.393 . . . . 0.0 111.98 175.539 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 15.7 pt20 -148.25 -15.34 0.34 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -161.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.61 65.9 3.19 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 120.99 1.723 . . . . 0.0 114.149 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.61 149.03 22.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.65 1.18 . . . . 0.0 110.994 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.69 -50.09 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 112.49 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.99 22.45 1.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.563 1.545 . . . . 0.0 112.04 -163.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -73.09 -11.65 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 O-C-N 120.987 -1.071 . . . . 0.0 112.373 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -94.2 -5.68 46.47 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.99 0.916 . . . . 0.0 112.25 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -56.89 5.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.572 1.533 . . . . 0.0 109.507 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 15' ' ' LEU . 1.2 pt? -51.71 -33.97 36.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 117.884 -1.055 . . . . 0.0 111.918 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.05 -55.6 29.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.367 0.985 . . . . 0.0 110.422 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -73.19 -4.53 33.52 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.031 0.932 . . . . 0.0 111.633 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -96.27 -60.66 1.57 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.227 1.011 . . . . 0.0 109.313 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -64.84 -31.09 72.16 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.723 -1.236 . . . . 0.0 112.655 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.03 -19.61 65.72 Favored 'General case' 0 C--O 1.226 -0.155 0 O-C-N 121.33 -0.856 . . . . 0.0 111.66 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -31.01 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.818 1.247 . . . . 0.0 110.856 -175.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.06 -29.42 69.72 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.705 0.802 . . . . 0.0 110.578 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 -40.39 26.89 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.746 0.703 . . . . 0.0 111.631 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 126.16 1.784 . . . . 0.0 113.443 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.326 -0.417 0 C-N-CA 123.886 0.874 . . . . 0.0 110.467 -170.785 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 40.37 3.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.84 -1.162 . . . . 0.0 113.737 -167.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.27 0.6 OUTLIER 67.34 102.15 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.385 1.874 . . . . 0.0 112.844 169.506 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -83.96 -70.32 0.58 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.604 1.562 . . . . 0.0 109.327 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -139.32 128.5 23.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.654 2.382 . . . . 0.0 106.757 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.4 -21.26 20.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.229 -172.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 14' ' ' VAL . 11.0 t -47.05 -38.44 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 127.048 2.139 . . . . 0.0 111.648 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -89.34 -50.49 6.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 118.35 0.523 . . . . 0.0 110.291 175.455 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.95 -44.13 74.05 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 111.169 -171.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.97 -31.38 71.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 117.849 -1.072 . . . . 0.0 112.367 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.13 -37.96 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 119.63 1.104 . . . . 0.0 109.651 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -51.87 10.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -71.24 -16.15 62.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.273 1.429 . . . . 0.0 112.369 -172.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.35 -23.89 62.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.77 1.628 . . . . 0.0 110.78 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 67' ' ' ALA . 17.2 mt -117.56 -87.22 0.62 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.917 -160.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.92 32.22 0.0 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.301 1.441 . . . . 0.0 112.24 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.27 155.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.691 1.234 . . . . 0.0 111.446 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -106.21 104.3 13.97 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -50.79 13.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.187 0.995 . . . . 0.0 109.024 162.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 60.48 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.649 2.38 . . . . 0.0 112.024 171.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -161.18 167.22 26.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.42 -1.425 . . . . 0.0 109.096 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -26.37 68.41 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 121.67 -0.644 . . . . 0.0 110.796 162.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.92 -55.33 35.9 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.686 -171.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -49.91 -36.96 29.52 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.936 0.789 . . . . 0.0 111.841 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -78.15 -32.34 50.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.075 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -49.98 -36.75 29.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.386 1.075 . . . . 0.0 110.59 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -53.29 7.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.583 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 32' ' ' ALA . 1.3 p -77.15 -4.09 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -32.17 11.52 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 168.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -88.63 -29.8 19.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.507 -166.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.16 -48.4 70.93 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 118.939 0.79 . . . . 0.0 110.936 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -62.06 -39.5 92.58 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 123.414 0.685 . . . . 0.0 109.639 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 82.3 m-20 -66.56 -4.36 8.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.213 -173.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.9 mm -78.52 -46.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.55 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -73.15 -28.87 62.48 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.673 1.589 . . . . 0.0 110.099 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 15.98 20.42 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.624 1.57 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -178.25 2.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 122.108 0.956 . . . . 0.0 109.962 171.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -76.37 -57.46 3.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.798 -0.564 . . . . 0.0 110.821 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.95 173.38 11.69 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -161.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.556 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 17.4 m -56.76 -56.85 16.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.325 1.05 . . . . 0.0 109.984 -177.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 t -60.36 -54.51 44.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.02 -18.0 63.9 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.711 1.204 . . . . 0.0 111.415 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.91 -61.81 1.7 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.911 0.778 . . . . 0.0 110.038 174.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -72.74 -24.12 60.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.508 -0.745 . . . . 0.0 110.591 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.44 -12.91 6.91 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -99.79 -25.72 14.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.52 -1.228 . . . . 0.0 114.108 168.466 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -68.61 -36.87 79.24 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.722 2.055 . . . . 0.0 111.305 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.28 -30.63 44.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 124.131 0.972 . . . . 0.0 111.002 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.4 m -86.84 7.9 25.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.359 1.864 . . . . 0.0 111.71 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -45.39 3.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.656 1.982 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.56 6.43 0.32 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.778 2.031 . . . . 0.0 114.21 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -126.1 -7.93 6.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.319 1.848 . . . . 0.0 111.56 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.63 -59.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -39.3 70.45 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -167.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 70' ' ' ILE . 3.6 mt -57.29 -36.83 71.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 109.901 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -72.92 18.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.342 1.457 . . . . 0.0 111.337 175.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.67 0.76 1.28 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 119.996 -1.69 . . . . 0.0 113.388 169.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' HD13 ' A' ' 22' ' ' LEU . 21.9 pt20 -151.96 -27.66 0.18 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.318 -166.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.06 57.44 14.78 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 120.9 1.682 . . . . 0.0 111.848 -174.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 22' ' ' LEU . . . -75.4 151.24 38.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 121.939 -0.741 . . . . 0.0 110.327 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -84.13 -49.59 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 123.356 0.41 . . . . 0.0 109.988 167.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.48 19.11 0.64 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -159.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 62' ' ' LEU . 10.7 tp -64.59 -30.56 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 O-C-N 120.577 -1.327 . . . . 0.0 112.141 -172.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -20.77 60.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.388 177.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.66 -53.05 57.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.187 1.358 . . . . 0.0 110.196 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.03 -30.57 71.7 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.979 177.243 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.9 m -62.78 -43.98 97.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.705 0.684 . . . . 0.0 110.571 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.11 -13.43 60.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.637 0.653 . . . . 0.0 112.653 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.22 -72.05 0.32 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 163.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -64.8 -35.61 81.64 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -165.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -38.38 89.91 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.995 1.27 . . . . 0.0 108.588 176.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -34.95 59.67 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.257 0.551 . . . . 0.0 111.957 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.34 -29.11 61.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.32 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.584 ' NH1' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -65.62 -25.96 67.61 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 120.781 -1.2 . . . . 0.0 111.4 168.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . . . -86.49 -0.58 56.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.603 2.361 . . . . 0.0 114.061 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 120.179 1.354 . . . . 0.0 111.186 174.663 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.48 HG13 HG13 ' A' ' 35' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 124.201 1.953 . . . . 0.0 115.885 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 10.82 0.82 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 -165.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 16' ' ' LEU 0.313 26.3 p 45.71 65.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 126.234 1.813 . . . . 0.0 113.762 166.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 12' ' ' SER 0.272 9.7 t -123.26 -79.92 0.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.993 -158.046 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.674 ' H ' HG23 ' A' ' 11' ' ' THR . 4.5 m -48.36 106.03 0.09 Allowed 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.212 2.605 . . . . 0.0 109.154 171.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.92 -23.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 120.242 1.383 . . . . 0.0 112.876 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.09 -35.88 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 122.883 0.473 . . . . 0.0 110.555 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -19.82 33.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.505 1.048 . . . . 0.0 110.929 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 10' ' ' CYS . 3.2 mt -99.99 -39.83 7.95 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.588 1.955 . . . . 0.0 112.983 -167.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -56.2 -46.05 79.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.922 1.689 . . . . 0.0 111.402 176.077 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB1' ' A' ' 67' ' ' ALA 0.295 0.0 OUTLIER -44.81 -17.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 120.977 3.695 . . . . 0.0 120.977 160.599 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.6 -50.32 3.04 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -172.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.8 pt20 -65.5 -18.23 65.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.09 0.956 . . . . 0.0 112.077 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -49.84 -33.04 15.68 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.699 1.2 . . . . 0.0 112.79 166.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 21' ' ' GLN . 2.9 mm? -110.8 -85.66 0.55 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.188 -162.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.823 1.649 . . . . 0.0 111.383 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.22 148.51 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 122.163 0.982 . . . . 0.0 110.749 -169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -108.48 108.5 19.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 p -59.29 -19.73 48.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 122.914 0.486 . . . . 0.0 111.727 166.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -71.48 -3.48 21.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.282 1.433 . . . . 0.0 112.999 171.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -120.56 151.27 39.63 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.214 1.37 . . . . 0.0 108.387 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.62 15.13 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.579 HD11 HD23 ' A' ' 61' ' ' LEU . 2.6 tm? -54.16 -49.09 70.08 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.572 1.149 . . . . 0.0 111.647 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -51.67 -49.79 61.68 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.953 1.252 . . . . 0.0 110.897 173.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -69.17 -35.83 76.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.061 -177.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -52.06 -20.93 2.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.814 2.446 . . . . 0.0 112.645 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -86.11 -65.27 1.03 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.177 1.791 . . . . 0.0 111.06 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG13 HG13 ' A' ' 8' ' ' VAL . 9.0 p -63.64 -41.17 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 C-N-CA 123.555 0.742 . . . . 0.0 112.343 -170.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -24.43 66.37 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.567 0.747 . . . . 0.0 109.085 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tt -88.27 -32.16 18.64 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.79 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.12 -50.85 65.96 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.739 1.154 . . . . 0.0 111.89 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -64.15 -40.38 96.02 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.764 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.49 -16.88 10.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.377 0.99 . . . . 0.0 112.322 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.96 -58.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 120.03 1.286 . . . . 0.0 107.852 170.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.64 -25.32 67.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.017 0.927 . . . . 0.0 111.14 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.13 12.99 32.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.579 1.552 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 176.16 3.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.92 . . . . 0.0 113.357 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -63.48 -58.27 7.56 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.818 0.847 . . . . 0.0 110.389 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.47 179.23 7.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 126.842 2.057 . . . . 0.0 108.101 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 24.9 m -45.49 -60.01 2.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.967 3.307 . . . . 0.0 110.949 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.7 t -68.88 -41.01 78.91 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -64.47 -20.84 66.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.836 0.855 . . . . 0.0 110.753 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.5 -62.45 1.41 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -71.78 -21.68 61.69 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.718 -176.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -23.94 5.65 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.752 1.221 . . . . 0.0 113.102 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -100.75 -29.45 12.27 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.337 0.655 . . . . 0.0 112.011 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 ptp -67.8 -37.21 81.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.377 1.444 . . . . 0.0 112.054 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.36 -24.33 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.279 0.632 . . . . 0.0 109.741 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m -79.08 -38.77 35.5 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 120.647 -1.283 . . . . 0.0 110.952 172.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -52.88 63.86 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.245 1.418 . . . . 0.0 108.947 -174.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -62.03 -10.77 10.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -171.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.8 t -109.55 -19.92 13.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.462 1.105 . . . . 0.0 110.204 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.03 -48.94 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 120.637 1.562 . . . . 0.0 108.419 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 30' ' ' LEU . 2.4 mt -74.33 -49.42 22.96 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 121.654 -0.654 . . . . 0.0 110.492 -166.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.43 -34.35 75.25 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.454 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t -69.87 2.19 3.67 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.365 0.529 . . . . 0.0 111.937 173.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -22.31 5.11 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.693 1.133 . . . . 0.0 111.644 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -147.95 -4.14 0.49 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 119.222 3.045 . . . . 0.0 119.222 -165.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.14 55.36 24.55 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 121.958 2.163 . . . . 0.0 114.396 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB1' HG12 ' A' ' 18' ' ' VAL . . . -96.84 165.76 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.696 1.198 . . . . 0.0 112.768 177.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -55.5 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -173.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.467 ' HB2' HG13 ' A' ' 18' ' ' VAL . 1.3 m-20 -60.24 0.98 0.13 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.07 2.148 . . . . 0.0 115.695 -164.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -65.43 -28.9 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.113 1.365 . . . . 0.0 111.483 -167.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -92.41 0.02 57.4 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.303 1.041 . . . . 0.0 112.362 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -70.92 -58.18 3.85 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 120.304 1.411 . . . . 0.0 107.433 163.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -31.99 71.81 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.999 -167.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.3 p -54.49 -60.07 3.85 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.344 1.429 . . . . 0.0 109.916 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.15 -17.05 63.17 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.75 1.22 . . . . 0.0 111.031 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -79.37 -64.23 1.23 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.431 1.492 . . . . 0.0 109.543 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -69.27 -31.65 70.31 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.962 -1.086 . . . . 0.0 112.676 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.07 -29.78 71.08 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.417 0.687 . . . . 0.0 111.162 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.71 -26.92 18.38 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.015 -0.428 . . . . 0.0 111.236 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.33 -27.01 68.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.763 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' CZ ' HG23 ' A' ' 47' ' ' THR . 6.1 ptt85 -76.04 -40.98 52.21 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.182 1.356 . . . . 0.0 110.85 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.88 62.06 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.633 1.573 . . . . 0.0 113.671 -168.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.552 1.041 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.181 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.33 88.69 2.79 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.625 -0.672 . . . . 0.0 110.416 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -60.26 117.15 4.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.9 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 12' ' ' SER 0.302 5.9 t -125.0 -87.07 0.62 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 11' ' ' THR . 53.0 m -70.39 119.54 14.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.709 1.204 . . . . 0.0 109.225 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.57 -17.63 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.275 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -45.89 -43.26 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.181 1.792 . . . . 0.0 111.008 174.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -93.39 -28.59 16.07 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 118.461 -0.781 . . . . 0.0 112.674 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 35' ' ' VAL . 3.4 mm? -78.71 -41.44 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 120.068 1.303 . . . . 0.0 111.72 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.1 t -63.37 -38.69 92.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.475 1.11 . . . . 0.0 108.43 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 69' ' ' ASP . 28.7 m -63.41 -15.92 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 121.172 -0.955 . . . . 0.0 113.304 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.29 -42.73 6.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.884 0.874 . . . . 0.0 109.032 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -64.7 -17.76 64.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.991 1.717 . . . . 0.0 111.421 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.442 HE22 ' CG2' ' A' ' 68' ' ' VAL . 9.1 mt-30 -59.03 -42.74 90.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 109.82 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 65' ' ' GLN . 1.3 mm? -94.67 -86.29 0.29 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -168.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.46 41.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 123.057 1.408 . . . . 0.0 112.502 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 150.26 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 119.54 -1.975 . . . . 0.0 110.915 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -108.78 108.97 19.99 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.287 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -56.16 -46.56 79.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.08 1.752 . . . . 0.0 110.279 165.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -78.09 46.76 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 110.392 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -152.75 157.85 41.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -24.73 60.72 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.731 -0.605 . . . . 0.0 112.31 174.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -51.63 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.083 0.953 . . . . 0.0 111.932 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -60.72 -15.98 34.96 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.7 -29.19 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 117.043 -1.456 . . . . 0.0 113.223 170.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -51.88 -29.14 18.6 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.874 1.67 . . . . 0.0 112.47 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -58.69 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 16' ' ' LEU . 42.9 t -52.16 -48.17 43.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -39.52 55.49 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.797 1.181 . . . . 0.0 110.374 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 57' ' ' LEU . 1.2 tt -67.6 -23.07 65.34 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.508 1.123 . . . . 0.0 110.514 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -56.87 -48.68 77.58 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 120.829 -1.169 . . . . 0.0 110.47 170.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -62.84 -42.46 99.75 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 118.199 0.454 . . . . 0.0 109.808 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -58.15 -19.12 30.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.936 1.294 . . . . 0.0 112.374 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mm -71.28 -44.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.5 mm? -72.12 -27.62 62.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.398 1.479 . . . . 0.0 111.449 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.86 -3.45 58.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.078 0.399 . . . . 0.0 110.413 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.53 158.87 35.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.716 0.769 . . . . 0.0 110.331 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -40.29 83.62 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.558 1.143 . . . . 0.0 111.543 -174.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.22 176.88 9.0 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.614 1.166 . . . . 0.0 108.046 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -55.44 -56.81 15.88 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 123.868 0.867 . . . . 0.0 111.952 170.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -55.75 -47.01 77.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -168.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -75.78 -25.99 56.92 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -61.2 2.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -79.27 -18.58 52.46 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.913 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.92 -48.83 51.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 119.348 0.977 . . . . 0.0 110.484 168.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -29.3 61.57 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.253 -0.904 . . . . 0.0 111.485 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 ptp -67.92 -42.2 81.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.296 1.407 . . . . 0.0 111.729 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.432 ' HA ' HD22 ' A' ' 58' ' ' LEU . 53.3 t -70.68 -6.46 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 120.912 -1.117 . . . . 0.0 110.35 176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 m -93.58 1.5 56.67 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 116.821 -1.562 . . . . 0.0 113.824 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 60' ' ' VAL . 3.1 pp -118.17 -30.86 5.18 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 122.773 2.533 . . . . 0.0 112.569 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -75.35 2.25 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.58 1.552 . . . . 0.0 114.099 -165.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -116.13 -29.45 6.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.725 1.61 . . . . 0.0 109.53 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 57' ' ' LEU . 1.9 t -55.49 -51.91 52.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 124.423 1.089 . . . . 0.0 109.539 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -33.11 61.35 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -168.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.56 -40.14 78.24 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 122.847 0.459 . . . . 0.0 110.211 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -71.04 8.77 0.85 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.584 1.154 . . . . 0.0 111.702 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -3.27 4.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.641 166.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 1.9 pt20 -152.79 -27.66 0.15 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -167.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.02 64.85 3.7 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 120.509 1.504 . . . . 0.0 113.195 -170.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.89 164.09 16.79 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.739 -0.859 . . . . 0.0 112.783 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.648 HG23 ' H ' ' A' ' 69' ' ' ASP . 1.3 m -97.03 -82.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' H ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -65.91 19.92 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 131.108 3.763 . . . . 0.0 113.053 -164.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.52 -27.5 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 O-C-N 120.09 -1.631 . . . . 0.0 111.381 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -75.79 -17.0 60.02 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 123.882 0.873 . . . . 0.0 112.94 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -66.03 -51.08 61.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 119.47 1.032 . . . . 0.0 109.889 -173.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.59 -26.66 65.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.488 177.254 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.9 m -64.18 -18.85 64.88 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.534 1.061 . . . . 0.0 112.337 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -112.31 19.61 17.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.952 2.101 . . . . 0.0 108.405 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.19 -67.42 0.92 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.288 1.435 . . . . 0.0 109.475 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -66.55 -25.16 66.52 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.701 -1.249 . . . . 0.0 112.27 -172.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.17 77.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.202 1.001 . . . . 0.0 110.781 170.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.88 -36.63 49.48 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 110.965 -177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -66.41 -16.86 64.41 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.588 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -32.09 14.22 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.074 0.852 . . . . 0.0 112.088 168.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.88 81.05 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.982 1.313 . . . . 0.0 113.167 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.534 0.364 0 C-N-CA 123.75 0.82 . . . . 0.0 110.558 -171.562 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -5.5 27.08 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 52.1 74.95 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 109.336 -172.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.313 0.0 OUTLIER -97.14 -87.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.476 0.71 . . . . 0.0 110.085 -171.134 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.428 ' HB2' HD21 ' A' ' 15' ' ' LEU . 72.2 m -67.86 127.89 34.47 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 123.798 0.839 . . . . 0.0 109.62 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.75 -15.54 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 121.403 -0.811 . . . . 0.0 112.539 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.33 -23.68 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 126.857 2.063 . . . . 0.0 112.004 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 12' ' ' SER . 0.1 OUTLIER -100.64 -48.45 4.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.844 1.257 . . . . 0.0 109.496 177.263 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.95 -33.07 71.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -63.34 -31.68 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.503 1.121 . . . . 0.0 110.784 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.2 t -68.99 -38.7 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.321 1.448 . . . . 0.0 110.45 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -49.14 37.76 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.667 0.667 . . . . 0.0 109.737 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.66 -11.46 60.16 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.756 0.822 . . . . 0.0 112.253 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -15.95 45.44 Favored 'General case' 0 C--N 1.34 0.175 0 O-C-N 121.109 -0.995 . . . . 0.0 112.167 169.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD21 ' HA ' ' A' ' 67' ' ' ALA . 1.5 mm? -119.72 -84.25 0.66 Allowed 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.982 0.81 . . . . 0.0 112.345 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.76 36.39 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.027 1.731 . . . . 0.0 112.255 -165.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.2 156.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.804 0.812 . . . . 0.0 110.086 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -120.37 117.09 26.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 127.924 2.49 . . . . 0.0 106.055 173.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 p -57.82 -40.08 79.17 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 109.904 171.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -75.07 22.53 0.11 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.644 1.978 . . . . 0.0 112.927 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 155.94 49.37 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.874 -1.141 . . . . 0.0 108.626 171.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.42 37.58 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.3 tm? -60.4 -49.26 78.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.416 1.086 . . . . 0.0 111.254 -169.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -48.08 -48.99 33.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.564 0.62 . . . . 0.0 110.494 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.55 73.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.289 -1.338 . . . . 0.0 112.157 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -45.78 -41.99 11.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.808 1.186 . . . . 0.0 110.641 176.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -68.25 -63.16 1.11 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.1 -43.08 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.467 1.107 . . . . 0.0 110.113 -170.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -49.39 59.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.098 0.959 . . . . 0.0 112.231 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 5.0 tt -64.61 -29.93 70.95 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.808 -0.558 . . . . 0.0 109.629 -171.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -52.9 -57.46 10.2 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.225 0.61 . . . . 0.0 112.062 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -30.5 69.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.138 -174.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.4 -1.15 1.56 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.169 1.388 . . . . 0.0 113.447 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.6 mm -82.99 -48.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 CA-C-N 121.311 1.869 . . . . 0.0 106.601 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.34 -18.48 61.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.151 1.381 . . . . 0.0 111.037 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.52 21.61 16.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.893 1.677 . . . . 0.0 109.231 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -93.47 167.18 11.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.384 1.088 . . . . 0.0 111.443 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -71.01 -58.33 3.68 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 126.255 1.822 . . . . 0.0 111.088 -166.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -137.94 173.37 11.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.84 1.656 . . . . 0.0 107.327 -170.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.9 m -61.53 -50.75 71.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.591 0.756 . . . . 0.0 111.908 -173.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -61.84 -47.08 86.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.25 -8.25 58.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.106 0.562 . . . . 0.0 111.631 -168.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' ALA . . . -75.61 -68.81 0.53 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.015 1.326 . . . . 0.0 109.531 164.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -14.39 61.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.719 -168.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -39.06 30.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.398 1.479 . . . . 0.0 112.726 172.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -84.56 -34.3 23.26 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.791 0.723 . . . . 0.0 111.539 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.93 -48.14 73.5 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.165 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.38 -17.46 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -90.18 -32.23 16.71 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 109.257 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -61.2 -52.8 63.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.486 2.314 . . . . 0.0 110.1 178.128 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -3.16 0.77 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -118.31 -26.05 6.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 110.237 -175.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -30.69 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 120.53 -1.356 . . . . 0.0 110.282 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.24 -57.18 8.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.43 -37.01 74.52 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 119.263 -0.399 . . . . 0.0 111.393 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -71.43 2.34 5.09 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.335 1.054 . . . . 0.0 112.148 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -6.75 8.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.992 -1.068 . . . . 0.0 112.53 171.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -160.09 -30.34 0.06 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.2 57.54 8.36 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.281 0.946 . . . . 0.0 115.218 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . -56.76 170.6 0.39 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.503 1.121 . . . . 0.0 113.133 170.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.55 -62.24 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.088 166.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -63.62 17.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 130.826 3.65 . . . . 0.0 115.429 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.22 -28.88 45.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 120.114 -1.616 . . . . 0.0 112.598 -169.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.87 -16.63 58.12 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.45 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -49.23 64.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.183 1.356 . . . . 0.0 111.062 -170.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -62.62 -22.31 66.31 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.76 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.61 -53.81 20.36 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.488 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.55 -17.75 64.23 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.975 0.807 . . . . 0.0 111.523 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.88 -69.86 0.39 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.68 1.127 . . . . 0.0 108.914 163.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -70.26 -17.83 63.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -56.56 10.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.032 1.287 . . . . 0.0 108.182 168.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -36.94 78.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.861 0.864 . . . . 0.0 110.92 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.33 -12.29 61.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.357 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 -7.33 15.78 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 119.651 1.114 . . . . 0.0 112.785 173.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.57 -17.77 22.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.647 1.579 . . . . 0.0 111.95 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.535 0.374 0 O-C-N 121.016 -1.053 . . . . 0.0 112.363 -166.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -100.09 110.11 22.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 43.82 -86.37 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.322 2.249 . . . . 0.0 114.866 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -152.33 -168.77 3.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.487 1.039 . . . . 0.0 111.246 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 ptm -57.06 96.88 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.291 1.436 . . . . 0.0 110.304 166.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -73.49 55.26 0.48 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.028 1.331 . . . . 0.0 110.81 168.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.69 62.94 2.39 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.581 1.553 . . . . 0.0 111.933 165.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.54 71.95 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 124.995 1.318 . . . . 0.0 109.672 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 33.26 4.48 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.291 1.436 . . . . 0.0 111.283 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HD11 ' A' ' 16' ' ' LEU . 33.7 m 50.01 68.09 0.8 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.534 1.934 . . . . 0.0 111.432 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -71.65 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.542 2.337 . . . . 0.0 111.931 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -128.26 130.41 47.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.203 1.001 . . . . 0.0 109.514 -160.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.53 -23.37 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.841 -0.537 . . . . 0.0 111.995 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.52 -24.52 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 125.838 1.655 . . . . 0.0 111.925 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 HD13 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -85.9 -53.42 5.11 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 119.678 1.126 . . . . 0.0 109.254 170.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 10' ' ' CYS . 9.8 mt -64.69 -42.93 94.96 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 129.571 3.148 . . . . 0.0 111.696 -159.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.1 t -54.26 -50.55 66.97 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.243 1.417 . . . . 0.0 108.394 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.23 -12.74 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 0.0 111.926 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.85 -49.9 5.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.666 -1.272 . . . . 0.0 109.365 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.4 -17.68 64.28 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.342 1.057 . . . . 0.0 111.935 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.3 -19.78 24.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.468 1.907 . . . . 0.0 111.165 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.584 HD23 HE21 ' A' ' 65' ' ' GLN . 1.2 mm? -118.53 -85.26 0.65 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.966 0.907 . . . . 0.0 110.033 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.39 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.742 1.217 . . . . 0.0 112.73 -168.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 p -54.44 150.46 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.911 0.863 . . . . 0.0 109.955 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -116.47 122.02 43.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 p -48.24 -40.93 26.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.097 1.759 . . . . 0.0 111.494 165.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -69.17 -21.4 63.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.604 1.962 . . . . 0.0 112.816 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 m -109.94 132.23 54.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -28.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.611 1.565 . . . . 0.0 114.448 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -44.66 -48.38 10.56 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.369 2.267 . . . . 0.0 112.769 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -51.52 -57.94 7.68 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.011 0.91 . . . . 0.0 109.646 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.05 77.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.88 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -33.25 43.75 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.418 1.087 . . . . 0.0 110.164 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.48 -50.46 6.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.518 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.82 -52.12 18.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 C-N-CA 123.94 0.896 . . . . 0.0 109.973 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -32.98 64.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.081 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' A' ' 53' ' ' LYS . 3.2 tt -68.93 -28.98 67.14 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.273 -0.892 . . . . 0.0 110.126 -169.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -47.55 -58.84 3.76 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 124.528 1.131 . . . . 0.0 110.228 167.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.43 -43.05 93.15 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -65.86 -8.42 21.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.088 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 50' ' ' ALA . 20.8 mm -73.15 -61.22 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.607 1.163 . . . . 0.0 107.887 166.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.74 -24.77 67.03 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.834 -1.166 . . . . 0.0 111.004 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 13.77 30.89 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.164 2.186 . . . . 0.0 110.512 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 168.45 14.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.727 -0.608 . . . . 0.0 110.795 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.64 -48.25 79.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.033 0.933 . . . . 0.0 112.087 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -147.82 -169.03 3.23 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 107.667 -164.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 124.003 0.921 . . . . 0.0 111.232 168.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -58.59 -46.81 86.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.679 0.792 . . . . 0.0 109.762 -166.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -72.87 -11.21 60.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.773 -0.58 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -73.55 -64.44 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 120.972 -1.08 . . . . 0.0 109.652 169.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -23.45 63.96 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.63 -171.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.49 -33.56 21.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 112.646 167.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 37' ' ' LEU . 40.5 mttt -75.13 -44.72 45.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.61 1.096 . . . . 0.0 110.404 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptp -66.54 -37.03 84.12 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.043 -1.036 . . . . 0.0 111.469 -173.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 94.7 t -67.47 -7.34 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 124.154 0.982 . . . . 0.0 110.569 176.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -106.92 11.49 29.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 119.821 -1.8 . . . . 0.0 113.001 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.0 pp -111.96 -40.68 4.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 120.002 1.274 . . . . 0.0 111.314 168.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.05 -32.43 69.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 119.16 -2.212 . . . . 0.0 111.335 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.475 ' H ' HD23 ' A' ' 58' ' ' LEU . 7.0 t -78.63 -35.0 46.09 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 126.511 1.924 . . . . 0.0 108.48 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 57' ' ' LEU . 4.0 p -70.88 -44.28 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 118.574 0.624 . . . . 0.0 109.527 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -67.47 -56.72 8.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.531 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.75 -18.59 65.18 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.44 -0.788 . . . . 0.0 112.453 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -70.38 -46.44 64.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.07 43.8 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.463 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.584 HE21 HD23 ' A' ' 22' ' ' LEU . 8.1 pt20 -142.72 -15.25 0.73 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -165.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.86 34.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 120.147 1.34 . . . . 0.0 114.486 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.02 165.44 24.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.826 0.85 . . . . 0.0 111.967 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -107.05 -56.08 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.265 1.026 . . . . 0.0 112.109 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.31 16.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.114 2.966 . . . . 0.0 114.003 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -73.82 -15.7 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 119.341 -2.1 . . . . 0.0 112.321 -167.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -87.21 -16.81 34.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.372 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -53.84 53.31 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.232 0.924 . . . . 0.0 109.854 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -56.36 -43.1 78.81 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.163 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.16 -54.48 46.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.489 0.586 . . . . 0.0 110.83 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.7 -7.13 50.82 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.258 0.349 . . . . 0.0 111.86 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.28 -66.13 0.93 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.014 -1.054 . . . . 0.0 109.188 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -68.79 -25.03 64.49 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.471 -0.768 . . . . 0.0 112.982 -169.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -69.4 -41.62 76.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.004 1.274 . . . . 0.0 110.588 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -71.73 -28.38 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.863 0.865 . . . . 0.0 110.831 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.04 -11.31 58.88 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.384 -0.823 . . . . 0.0 109.59 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -49.32 9.46 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 126.183 1.793 . . . . 0.0 108.642 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.45 75.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.867 0.867 . . . . 0.0 111.48 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 t -61.07 -18.51 58.25 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.913 1.285 . . . . 0.0 111.709 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 mt -96.64 1.18 50.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.238 1.415 . . . . 0.0 113.537 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.834 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.777 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -129.75 158.87 38.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.099 0.96 . . . . 0.0 109.321 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -75.41 -78.51 0.11 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.051 0.54 . . . . 0.0 110.877 166.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.443 ' HE3' ' C ' ' A' ' 5' ' ' MET . 0.0 OUTLIER 46.13 165.57 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 129.967 3.307 . . . . 0.0 111.985 -148.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.443 ' C ' ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -155.49 169.59 23.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.988 2.115 . . . . 0.0 108.665 176.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -123.14 54.06 1.27 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.002 1.382 . . . . 0.0 110.11 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.17 48.24 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.943 2.097 . . . . 0.0 111.667 166.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.34 69.11 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 125.09 1.356 . . . . 0.0 110.482 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -112.29 19.68 17.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.864 1.666 . . . . 0.0 112.686 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.77 145.11 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 128.127 2.571 . . . . 0.0 110.958 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.6 p -114.01 -67.0 1.03 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.751 1.22 . . . . 0.0 108.613 -169.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -148.92 134.95 19.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.439 2.696 . . . . 0.0 105.109 -166.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.06 -19.49 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.952 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.21 -21.39 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.686 1.595 . . . . 0.0 113.877 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.25 -45.88 4.01 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.309 1.044 . . . . 0.0 112.706 172.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.05 -39.55 86.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.863 0.756 . . . . 0.0 111.21 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.412 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 t -55.6 -45.52 77.45 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 125.545 1.538 . . . . 0.0 110.164 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.08 -22.5 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 120.747 -1.22 . . . . 0.0 112.044 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -50.23 6.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.834 -1.166 . . . . 0.0 109.124 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.2 pt20 -71.02 -17.11 62.64 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.64 -1.171 . . . . 0.0 112.542 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HG3' HD22 ' A' ' 22' ' ' LEU . 3.0 pt20 -66.95 -11.26 56.01 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.378 1.445 . . . . 0.0 111.226 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 21' ' ' GLN . 2.7 mm? -113.79 -85.89 0.59 Allowed 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.98 1.312 . . . . 0.0 110.116 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.01 25.41 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.233 1.413 . . . . 0.0 113.189 -166.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.08 159.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.07 0.948 . . . . 0.0 111.482 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -120.19 118.64 31.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.172 1.389 . . . . 0.0 108.631 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -68.7 -23.4 64.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.132 -0.355 . . . . 0.0 111.491 169.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 2.02 3.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.595 1.158 . . . . 0.0 113.498 172.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 m -121.51 160.99 23.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 109.862 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -23.9 61.29 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 176.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.713 HD11 HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -58.19 -50.65 72.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.362 0.665 . . . . 0.0 110.533 -164.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -48.02 -42.34 27.88 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.827 1.251 . . . . 0.0 111.847 170.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 -31.69 48.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.575 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -45.12 -37.47 4.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.224 1.374 . . . . 0.0 111.798 168.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.01 -62.37 1.72 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.189 0.306 . . . . 0.0 110.396 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.11 -42.26 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -167.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -27.12 62.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.417 1.008 . . . . 0.0 112.157 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -89.11 -14.43 36.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.371 -0.831 . . . . 0.0 110.952 -174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -64.07 -55.42 22.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.2 0.909 . . . . 0.0 109.622 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.93 -38.28 87.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.646 -0.692 . . . . 0.0 111.205 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -14.44 50.46 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.036 0.834 . . . . 0.0 112.749 -176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.71 -57.98 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 172.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.11 -40.82 86.95 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.3 13.58 6.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.92 2.088 . . . . 0.0 110.644 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 177.2 1.54 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.019 1.327 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.16 -48.49 15.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.658 1.183 . . . . 0.0 112.021 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.5 168.33 19.87 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.411 1.084 . . . . 0.0 108.198 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.5 m -59.76 -50.12 75.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.965 0.506 . . . . 0.0 111.34 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -61.22 -43.32 99.06 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.57 -15.71 61.75 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.638 -0.664 . . . . 0.0 112.068 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.68 75.29 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 119.227 0.921 . . . . 0.0 110.215 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -96.56 -26.1 15.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.356 -169.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.88 -36.16 58.85 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.838 0.745 . . . . 0.0 110.474 170.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.82 56.5 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.735 -1.228 . . . . 0.0 113.397 176.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.15 -39.5 82.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.92 1.691 . . . . 0.0 110.409 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.16 -7.22 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.395 1.078 . . . . 0.0 110.871 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -108.2 10.72 27.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 126.045 1.738 . . . . 0.0 112.535 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.91 -48.37 2.84 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.491 1.496 . . . . 0.0 109.441 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -54.85 -35.42 63.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.885 1.674 . . . . 0.0 112.55 -160.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -77.56 -27.88 51.64 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.786 1.234 . . . . 0.0 109.597 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.71 -44.5 81.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 CA-C-N 119.075 0.852 . . . . 0.0 108.776 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.27 -50.43 65.77 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.42 -37.49 86.02 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.909 -0.495 . . . . 0.0 111.69 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -63.33 -8.02 7.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 127.94 2.496 . . . . 0.0 111.979 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -12.29 5.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.701 1.2 . . . . 0.0 113.811 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.57 -10.56 0.25 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.3 46.74 43.96 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.827 1.203 . . . . 0.0 112.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.0 176.13 0.76 Allowed 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.395 1.078 . . . . 0.0 111.508 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 p -117.38 -50.85 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 C-N-CA 123.326 0.65 . . . . 0.0 110.091 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -81.97 14.75 2.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.22 -1.392 . . . . 0.0 109.642 -157.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.15 -19.94 25.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 120.871 -1.143 . . . . 0.0 111.225 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -76.4 -25.19 54.27 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 123.162 0.585 . . . . 0.0 111.443 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -67.0 -52.4 43.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.528 0.604 . . . . 0.0 110.323 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.7 OUTLIER -54.79 -37.44 66.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.38 173.7 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.8 m -59.39 -48.12 82.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 119.677 1.126 . . . . 0.0 110.676 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.54 -45.44 94.17 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 124.141 0.901 . . . . 0.0 109.27 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.73 -55.02 38.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.795 0.438 . . . . 0.0 110.69 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.415 ' CE ' HD12 ' A' ' 73' ' ' LEU . 13.2 ptt? -72.07 -22.24 61.39 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.587 0.63 . . . . 0.0 112.38 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.64 -53.44 41.45 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.532 1.06 . . . . 0.0 110.38 166.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.24 -21.59 61.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.429 -0.794 . . . . 0.0 110.649 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.42 -28.0 65.76 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.891 -1.131 . . . . 0.0 111.488 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -32.41 17.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 120.337 1.426 . . . . 0.0 111.095 174.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -28.61 69.12 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -69.7 -5.23 23.64 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.085 0.954 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.09 -4.05 58.46 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 120.838 -1.164 . . . . 0.0 112.529 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 123.373 0.669 . . . . 0.0 111.072 -151.644 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.563 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.43 -39.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.679 1.192 . . . . 0.0 109.683 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m 61.58 169.65 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.963 1.705 . . . . 0.0 112.238 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 126.49 34.94 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 158.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 ptm 46.27 -62.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 131.032 3.733 . . . . 0.0 118.067 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 64.41 16.42 10.18 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.854 1.662 . . . . 0.0 114.603 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 4.2 t70 73.94 74.88 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 123.537 1.637 . . . . 0.0 111.391 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m -121.32 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.932 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HE2' ' OD1' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -123.89 17.33 9.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.622 1.169 . . . . 0.0 113.608 -175.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t 52.2 88.59 0.03 OUTLIER 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.0 1.72 . . . . 0.0 110.362 -170.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -97.44 150.23 21.27 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 161.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m 44.07 99.08 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.417 3.087 . . . . 0.0 113.823 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.57 -17.02 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 119.867 -1.771 . . . . 0.0 114.16 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.68 -45.65 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.894 1.278 . . . . 0.0 109.451 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.09 -40.18 17.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 118.488 0.585 . . . . 0.0 112.181 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.46 -31.32 71.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.741 0.7 . . . . 0.0 111.993 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -54.65 -42.6 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.67 1.588 . . . . 0.0 109.502 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.12 -16.7 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.605 0.762 . . . . 0.0 112.216 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -96.21 -48.27 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 120.636 -1.29 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -69.08 -14.21 62.89 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.897 0.879 . . . . 0.0 111.651 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 22' ' ' LEU . 5.0 mt-30 -50.32 -34.37 23.43 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.781 1.232 . . . . 0.0 110.709 165.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 HE21 ' A' ' 65' ' ' GLN . 2.8 mm? -110.31 -85.68 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -162.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.97 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.675 0.79 . . . . 0.0 112.455 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.67 141.03 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 124.059 0.944 . . . . 0.0 109.744 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.65 125.83 47.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.448 -2.427 . . . . 0.0 104.448 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 p -58.94 -29.27 66.99 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.27 0.941 . . . . 0.0 110.928 172.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -62.3 -31.14 71.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.132 0.973 . . . . 0.0 111.041 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -69.11 138.44 54.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -23.93 2.9 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.129 0.966 . . . . 0.0 111.74 169.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -53.78 -41.54 67.33 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 126.716 2.006 . . . . 0.0 112.595 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -55.73 -55.89 26.98 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.409 0.55 . . . . 0.0 109.844 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.52 90.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.568 1.147 . . . . 0.0 112.064 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -36.05 30.05 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.443 1.497 . . . . 0.0 111.477 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.4 t -79.76 -58.5 3.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.91 -42.42 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.74 0.816 . . . . 0.0 110.42 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -42.87 84.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.556 0.616 . . . . 0.0 112.082 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -74.56 -14.01 60.74 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.506 1.123 . . . . 0.0 110.881 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -60.84 -49.45 77.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.252 0.621 . . . . 0.0 110.082 170.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -60.97 -37.94 84.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -24.94 31.25 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.341 1.056 . . . . 0.0 111.916 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG23 ' HB1' ' A' ' 50' ' ' ALA . 11.5 mm -76.65 -49.49 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.181 1.392 . . . . 0.0 109.301 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.31 -40.47 77.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 120.39 -1.444 . . . . 0.0 109.001 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.48 5.96 9.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.602 1.161 . . . . 0.0 111.007 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.79 162.37 16.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 122.455 1.122 . . . . 0.0 112.914 -173.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.12 -58.47 8.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.767 1.627 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.33 179.91 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 125.662 1.585 . . . . 0.0 106.949 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -59.28 -56.63 19.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 111.918 165.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -52.79 60.01 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.19 -0.35 11.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.994 0.517 . . . . 0.0 111.582 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -79.62 -70.16 0.53 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.604 -1.31 . . . . 0.0 108.858 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -66.88 -25.24 66.3 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 111.188 -170.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.77 -36.8 27.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.208 1.003 . . . . 0.0 112.054 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -87.95 -28.63 21.36 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.91 -1.118 . . . . 0.0 111.802 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 ptp -67.08 -37.62 84.29 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.551 1.523 . . . . 0.0 111.13 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -11.51 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.516 1.526 . . . . 0.0 110.742 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -92.64 -5.95 50.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.941 0.896 . . . . 0.0 112.704 172.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -107.7 -48.05 3.49 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 120.247 -1.533 . . . . 0.0 109.002 -169.181 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.12 7.61 0.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.885 2.074 . . . . 0.0 114.89 -171.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -112.7 -37.98 4.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.499 1.92 . . . . 0.0 111.706 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.78 -23.03 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 119.339 0.972 . . . . 0.0 111.92 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 HD11 ' A' ' 30' ' ' LEU . 3.2 mm? -66.97 -58.23 5.35 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 168.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.12 -32.91 70.26 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.126 0.971 . . . . 0.0 113.484 -164.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -70.71 -26.0 63.21 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -24.33 19.4 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.837 -1.165 . . . . 0.0 112.543 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.586 HE21 HD23 ' A' ' 22' ' ' LEU . 9.3 pt20 -142.13 -19.38 0.72 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -168.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 53.26 30.19 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 120.091 1.314 . . . . 0.0 113.562 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.28 173.17 11.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 117.698 0.749 . . . . 0.0 112.022 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 m -126.26 -41.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.35 16.95 0.9 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.097 -1.627 . . . . 0.0 112.44 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -66.39 -22.82 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 120.322 -1.486 . . . . 0.0 112.011 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -82.77 -14.67 54.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.368 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 -53.84 27.38 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 119.556 1.071 . . . . 0.0 109.717 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -27.1 65.71 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.404 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.2 m -56.25 -56.16 24.4 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 119.176 0.898 . . . . 0.0 109.791 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -74.64 -3.64 32.47 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.283 1.833 . . . . 0.0 111.189 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -71.89 0.53 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 170.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -65.03 -24.28 67.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -172.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.41 -52.1 17.47 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 119.738 1.154 . . . . 0.0 109.407 172.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.3 -29.09 69.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.975 0.893 . . . . 0.0 110.69 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -68.55 -27.26 65.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.898 -1.126 . . . . 0.0 111.612 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.25 -29.68 22.92 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 111.52 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.33 62.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.072 0.949 . . . . 0.0 113.462 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -73.91 -20.07 60.5 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 120.535 -1.353 . . . . 0.0 110.3 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 67.8 mt -76.15 3.1 11.29 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.625 1.17 . . . . 0.0 112.534 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 124.293 1.037 . . . . 0.0 108.839 -163.375 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -153.15 160.13 42.82 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 168.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m 67.18 160.37 0.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.013 2.125 . . . . 0.0 113.316 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 150.45 47.88 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 126.883 2.073 . . . . 0.0 108.532 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -67.36 135.47 53.28 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 153.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -71.98 -179.22 2.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 124.877 1.36 . . . . 0.0 108.462 167.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' HE3' ' A' ' 9' ' ' LYS . 13.5 t0 -88.36 91.8 8.93 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.6 1.56 . . . . 0.0 107.85 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 36' ' ' GLN . 13.2 m -115.66 39.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 123.124 1.44 . . . . 0.0 113.064 -167.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HE3' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -106.78 2.05 25.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 67.17 157.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.187 2.995 . . . . 0.0 112.366 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -87.67 0.07 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -75.12 130.65 39.61 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.33 -19.52 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.308 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -45.02 -47.62 2.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 124.967 1.307 . . . . 0.0 109.529 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.596 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -75.83 -40.41 54.91 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 123.7 0.8 . . . . 0.0 111.972 -174.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -69.63 -36.44 76.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.956 0.502 . . . . 0.0 111.138 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.609 1.164 . . . . 0.0 110.157 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -52.19 -36.53 20.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 123.597 0.759 . . . . 0.0 111.038 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.29 -48.52 8.44 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 123.35 0.66 . . . . 0.0 110.363 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.37 -11.07 59.97 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.246 0.967 . . . . 0.0 111.657 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.57 ' OE1' HG22 ' A' ' 68' ' ' VAL . 20.2 tt0 -62.35 -23.21 66.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.693 -1.255 . . . . 0.0 109.98 164.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.43 -73.38 0.65 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.829 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.98 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.178 1.391 . . . . 0.0 113.476 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.301 7.5 p 42.02 129.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 130.818 3.647 . . . . 0.0 116.153 174.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -93.57 100.51 12.76 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.995 -1.69 . . . . 0.0 108.341 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -55.67 -37.81 68.78 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.218 1.007 . . . . 0.0 110.278 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 m -79.86 46.56 0.79 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.086 1.754 . . . . 0.0 111.248 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 t -154.52 159.57 41.03 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.448 1.899 . . . . 0.0 106.942 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -20.72 57.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 162.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -53.3 -58.31 7.51 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.035 0.934 . . . . 0.0 112.003 -172.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -45.62 -44.92 13.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.706 0.685 . . . . 0.0 111.829 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.0 66.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.049 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -47.04 -43.85 20.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.517 1.527 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.47 -55.38 5.74 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.377 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -57.97 -39.96 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 O-C-N 123.91 0.756 . . . . 0.0 110.861 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.553 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -75.21 -44.16 47.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 122.712 0.405 . . . . 0.0 111.588 -176.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 41' ' ' ILE . 4.8 tt -74.82 -26.63 59.85 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.608 -0.682 . . . . 0.0 109.679 -171.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -48.1 -55.73 9.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.284 1.034 . . . . 0.0 109.937 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -39.47 92.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.35 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.9 -18.99 48.98 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.562 -1.208 . . . . 0.0 111.741 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 37' ' ' LEU . 6.8 mm -60.58 -62.38 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 120.131 1.332 . . . . 0.0 108.496 170.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.52 -35.9 82.46 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.632 1.206 . . . . 0.0 108.492 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.01 9.93 9.1 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.84 2.056 . . . . 0.0 110.73 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.43 -177.97 1.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.225 1.012 . . . . 0.0 111.16 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -87.12 -52.53 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.602 0.761 . . . . 0.0 110.636 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.09 173.25 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -171.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -50.46 73.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.931 0.892 . . . . 0.0 111.343 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -60.72 -49.59 76.88 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.72 -38.16 80.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.34 0.656 . . . . 0.0 110.451 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.09 84.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.635 0.774 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.46 -21.18 16.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 119.225 0.92 . . . . 0.0 111.494 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.12 -49.96 30.25 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.08 0.952 . . . . 0.0 108.48 168.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -70.19 -33.22 71.45 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.356 -1.307 . . . . 0.0 113.326 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -66.82 -40.24 87.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 121.163 1.801 . . . . 0.0 110.278 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.68 -22.39 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -81.96 -8.01 59.65 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.283 -1.511 . . . . 0.0 113.236 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -57.01 3.06 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 120.232 1.378 . . . . 0.0 111.38 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -44.62 -47.82 10.44 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.476 1.51 . . . . 0.0 113.698 -162.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.514 ' H ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.95 -28.91 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.926 2.49 . . . . 0.0 109.61 -170.558 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.02 -52.17 59.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -76.85 -39.36 51.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.833 -171.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 70' ' ' ILE . 3.4 mt -60.44 -41.41 94.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 119.127 0.876 . . . . 0.0 109.595 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -75.13 6.56 4.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.684 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.27 -5.49 8.86 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.947 1.249 . . . . 0.0 112.85 168.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.43 -33.95 0.26 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -164.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 32.62 56.94 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 120.281 1.4 . . . . 0.0 114.534 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.22 146.37 53.54 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.78 1.29 . . . . 0.0 112.514 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.57 HG22 ' OE1' ' A' ' 21' ' ' GLN . 16.9 m -85.29 -55.26 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.772 0.829 . . . . 0.0 109.937 174.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -83.03 21.25 1.08 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.725 1.61 . . . . 0.0 112.632 -158.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 62' ' ' LEU . 8.2 tp -66.14 -15.15 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 120.786 -1.197 . . . . 0.0 112.638 -168.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -94.28 -13.25 26.7 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.028 1.731 . . . . 0.0 111.716 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -50.49 32.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.764 0.711 . . . . 0.0 110.386 -167.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -61.55 -33.85 74.56 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.489 0.493 . . . . 0.0 110.602 172.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.33 -49.07 79.06 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.273 0.942 . . . . 0.0 108.911 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.52 -9.0 30.31 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.185 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.262 3.1 pt-20 -88.58 -63.78 1.24 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 120.779 1.627 . . . . 0.0 108.894 166.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -67.08 -21.39 65.88 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.643 1.177 . . . . 0.0 113.065 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.21 -24.91 61.47 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.935 -0.478 . . . . 0.0 110.721 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.8 -30.56 11.63 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 123.368 0.667 . . . . 0.0 112.249 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.08 -15.81 57.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.716 -0.615 . . . . 0.0 111.634 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -30.71 16.03 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.0 112.795 167.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.48 -23.87 56.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.326 1.45 . . . . 0.0 111.317 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.7 t -64.3 -19.22 65.28 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.343 1.857 . . . . 0.0 111.402 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.73 -5.1 44.05 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.486 1.115 . . . . 0.0 113.189 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.246 0.874 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -160.104 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.352 0 N-CA-C 108.201 -1.96 . . . . 0.0 108.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -137.26 -7.2 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 118.09 -0.957 . . . . 0.0 112.753 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m 45.9 -77.46 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.523 2.329 . . . . 0.0 115.104 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 144.72 0.08 Allowed 'General case' 0 C--O 1.237 0.428 1 C-N-CA 132.528 4.331 . . . . 0.0 110.442 -165.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.9 ptm -63.44 97.6 0.14 Allowed 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -76.53 32.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.788 1.635 . . . . 0.0 111.965 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.54 83.45 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.309 2.644 . . . . 0.0 109.061 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.36 42.93 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.473 1.109 . . . . 0.0 111.945 -169.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 38.53 0.89 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.8 -1.188 . . . . 0.0 110.484 -169.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' HD21 ' A' ' 16' ' ' LEU . 5.6 m 55.68 -66.35 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 128.972 2.909 . . . . 0.0 113.068 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.271 3.2 p 75.55 -164.96 0.07 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 128.098 2.559 . . . . 0.0 110.66 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -43.44 112.76 0.41 Allowed 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 130.244 3.418 . . . . 0.0 109.942 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 m -51.92 -17.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 124.757 1.223 . . . . 0.0 113.969 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.65 -47.59 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.49 1.516 . . . . 0.0 109.89 172.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -82.84 -44.28 15.65 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.478 HD21 ' O ' ' A' ' 10' ' ' CYS . 4.1 mm? -56.74 -43.54 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.859 -0.526 . . . . 0.0 110.536 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -58.88 -26.41 64.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.395 1.078 . . . . 0.0 111.898 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.32 -39.22 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 119.981 1.264 . . . . 0.0 109.905 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -40.65 17.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.044 0.838 . . . . 0.0 109.906 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.85 -15.21 63.44 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.51 1.524 . . . . 0.0 111.859 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.07 -37.05 68.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 109.531 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 67' ' ' ALA . 3.0 mm? -96.09 -86.19 0.32 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -168.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 175.26 27.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.704 1.602 . . . . 0.0 112.224 -166.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.32 148.2 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.377 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -97.1 112.5 24.25 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -49.77 -42.52 46.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.766 1.626 . . . . 0.0 109.704 166.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.5 p -80.05 39.5 0.44 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.961 -1.087 . . . . 0.0 112.345 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -138.82 151.45 47.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 162.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.28 7.53 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 61' ' ' LEU . 1.7 tm? -54.81 -42.43 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.799 0.727 . . . . 0.0 110.977 -172.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -54.3 -47.79 72.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.451 0.701 . . . . 0.0 111.765 170.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -36.78 52.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 -168.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -43.67 -45.06 6.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.733 1.213 . . . . 0.0 111.3 171.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.8 -49.78 35.63 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.114 -171.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.65 -39.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.7 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -43.84 64.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.542 1.064 . . . . 0.0 109.729 -173.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -31.71 69.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.02 0.928 . . . . 0.0 111.176 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -56.43 -49.38 74.74 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.043 0.937 . . . . 0.0 110.681 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -58.47 -45.84 87.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.5 -5.18 18.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.188 1.395 . . . . 0.0 112.621 -165.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.09 -48.29 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.731 2.012 . . . . 0.0 108.683 168.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.0 mt -72.79 -24.39 60.92 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.372 1.069 . . . . 0.0 111.202 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -91.48 1.98 56.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.769 0.828 . . . . 0.0 111.401 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.77 178.89 2.4 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.966 0.906 . . . . 0.0 113.397 -166.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.36 -86.12 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 170.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -105.07 179.29 4.31 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 125.038 1.335 . . . . 0.0 108.749 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.7 m -58.51 -58.87 6.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.729 0.411 . . . . 0.0 110.72 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 t -55.94 -47.85 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.86 0.864 . . . . 0.0 108.849 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.11 -19.17 61.84 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.621 0.769 . . . . 0.0 111.09 -175.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.93 -69.76 0.26 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 167.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -71.85 -21.31 61.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.844 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.91 -38.32 35.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.716 1.144 . . . . 0.0 112.196 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -82.52 -27.79 31.5 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.021 -1.049 . . . . 0.0 113.235 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.82 -37.87 87.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.611 1.551 . . . . 0.0 110.124 171.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.72 -27.46 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 109.672 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -1.76 24.18 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 171.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 58' ' ' LEU 0.292 0.2 OUTLIER -115.12 -25.6 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 168.22 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.66 3.03 0.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 O-C-N 119.597 -1.94 . . . . 0.0 115.499 -174.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -123.66 -51.57 1.82 Allowed 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 126.394 1.878 . . . . 0.0 108.255 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.39 -32.56 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.382 1.873 . . . . 0.0 113.098 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.3 mt -90.49 -43.02 10.52 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 125.738 1.615 . . . . 0.0 110.121 -176.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HG21 ' A' ' 70' ' ' ILE . 4.2 mt -65.53 -35.25 80.32 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 19.11 0.87 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.935 1.294 . . . . 0.0 110.54 173.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -23.47 4.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.09 -1.631 . . . . 0.0 112.383 162.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.22 -25.46 0.85 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 119.146 3.017 . . . . 0.0 119.146 -162.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.46 53.26 5.17 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.24 1.382 . . . . 0.0 114.502 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -96.04 170.87 8.98 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.582 1.691 . . . . 0.0 111.727 174.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.23 -36.26 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.22 1.008 . . . . 0.0 113.483 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -76.61 15.74 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.81 -1.182 . . . . 0.0 112.728 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 62' ' ' LEU . 8.5 tp -63.65 -29.49 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 124.992 1.317 . . . . 0.0 111.12 -168.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -90.01 -6.96 55.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.392 1.077 . . . . 0.0 112.569 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -59.02 3.52 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.072 1.305 . . . . 0.0 109.739 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -60.3 -22.51 63.25 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.774 -177.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.6 m -58.2 -57.58 12.25 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.077 0.853 . . . . 0.0 109.48 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.41 -19.22 65.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.252 1.021 . . . . 0.0 112.204 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -68.53 0.45 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.764 0.826 . . . . 0.0 109.978 169.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.408 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.0 ptt? -75.61 -18.62 59.65 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -163.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -52.23 50.6 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 119.137 0.88 . . . . 0.0 108.955 162.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.22 -39.41 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.292 0.568 . . . . 0.0 111.007 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.85 -18.84 64.55 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 117.387 -1.292 . . . . 0.0 111.844 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -42.34 11.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 121.051 1.751 . . . . 0.0 111.073 166.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.55 73.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.323 1.449 . . . . 0.0 112.456 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 t -66.98 -26.17 66.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.035 -170.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.49 1.79 40.04 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.251 1.02 . . . . 0.0 112.593 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.396 -174.451 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.805 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -144.95 126.95 15.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 171.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -132.7 153.68 50.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.428 1.091 . . . . 0.0 110.344 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 142.73 50.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.708 -0.663 . . . . 0.0 109.878 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.9 mtp 59.11 174.02 0.07 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.643 1.977 . . . . 0.0 114.77 171.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -143.46 24.65 1.73 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 154.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.68 53.7 0.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 124.644 2.164 . . . . 0.0 109.79 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.02 79.63 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 127.273 2.229 . . . . 0.0 107.05 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 1.84 18.09 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 50.95 177.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 129.268 3.027 . . . . 0.0 113.025 -171.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t 177.81 170.34 0.67 Allowed 'General case' 0 C--O 1.239 0.512 0 C-N-CA 129.084 2.954 . . . . 0.0 107.018 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m 43.83 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.655 2.382 . . . . 0.0 113.493 160.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.46 -22.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 116.591 -1.671 . . . . 0.0 114.912 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.02 -39.61 3.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 120.381 1.446 . . . . 0.0 111.787 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.29 4.29 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.961 1.255 . . . . 0.0 110.338 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.5 -38.77 88.54 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.323 -0.86 . . . . 0.0 113.0 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.74 -37.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.636 1.574 . . . . 0.0 111.123 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.27 -38.75 63.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 119.934 1.243 . . . . 0.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.72 -46.02 10.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.996 0.817 . . . . 0.0 110.535 -171.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.06 -24.58 67.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.3 tt0 -51.62 -29.28 17.03 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.098 1.359 . . . . 0.0 111.004 172.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 21' ' ' GLN . 2.5 mm? -102.92 -87.73 0.41 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.129 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.9 25.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.377 0.99 . . . . 0.0 112.716 -166.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.48 155.23 4.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 125.769 1.628 . . . . 0.0 112.367 -170.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -118.47 109.5 16.3 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.187 1.395 . . . . 0.0 109.26 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -56.13 -31.99 63.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.935 0.894 . . . . 0.0 111.091 166.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -71.77 15.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.759 2.024 . . . . 0.0 113.305 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -137.73 160.98 37.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 120.163 1.347 . . . . 0.0 109.031 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -26.63 58.86 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 173.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.27 -43.07 87.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.048 0.539 . . . . 0.0 111.754 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.6 t90 -55.62 -38.2 69.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.931 0.787 . . . . 0.0 111.171 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -26.1 48.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 112.158 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -55.93 -21.84 22.84 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.445 1.098 . . . . 0.0 112.444 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -33.5 7.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.711 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.25 -72.91 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 119.122 0.874 . . . . 0.0 109.622 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.97 70.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.882 1.219 . . . . 0.0 110.799 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 HD23 ' A' ' 57' ' ' LEU . 7.3 tp -77.01 -8.67 57.82 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.298 -174.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -79.5 -46.23 17.81 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.212 0.914 . . . . 0.0 110.005 164.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -63.58 -44.44 94.06 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.89 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.04 -29.74 45.13 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.497 1.519 . . . . 0.0 111.23 -170.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.7 mm -57.07 -63.81 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 128.723 2.809 . . . . 0.0 110.375 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.3 -3.96 30.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.016 0.926 . . . . 0.0 110.642 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.52 3.76 11.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 129.169 2.988 . . . . 0.0 110.426 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 178.64 3.0 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.264 1.026 . . . . 0.0 111.874 -170.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -64.82 -70.19 0.24 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -133.76 171.58 13.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 m -49.82 -54.77 17.27 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.384 1.473 . . . . 0.0 111.937 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -65.2 -40.06 93.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -168.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.56 -21.2 49.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -69.48 0.26 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.681 1.192 . . . . 0.0 109.535 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -19.66 63.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.046 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -30.56 5.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.55 1.94 . . . . 0.0 114.82 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -26.7 16.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.845 0.748 . . . . 0.0 112.743 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 ttm -60.14 -52.62 64.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.972 1.309 . . . . 0.0 110.419 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.81 -11.0 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 120.952 -1.093 . . . . 0.0 113.793 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -108.11 9.16 28.35 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.34 1.856 . . . . 0.0 111.354 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.9 pp -115.25 -42.39 3.18 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.21 1.368 . . . . 0.0 110.282 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.36 -30.99 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 119.218 0.917 . . . . 0.0 111.902 -170.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 58' ' ' LEU . 28.9 t -74.18 -38.82 63.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 108.463 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.39 -50.07 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.036 1.734 . . . . 0.0 109.177 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 HE22 ' A' ' 65' ' ' GLN . 2.5 mm? -60.21 -59.17 5.83 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.058 0.943 . . . . 0.0 108.799 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 67' ' ' ALA . 8.1 mp -65.35 -29.45 70.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.392 -0.814 . . . . 0.0 110.896 -171.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.1 t -77.13 13.98 1.0 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.081 0.855 . . . . 0.0 112.117 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -18.16 2.81 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.6 1.091 . . . . 0.0 112.931 169.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.415 HE22 HD12 ' A' ' 61' ' ' LEU 0.252 3.9 pt20 -128.57 -70.98 0.66 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.496 -172.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.58 49.95 0.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -165.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -82.09 165.34 20.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.08 -39.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 123.742 0.817 . . . . 0.0 112.068 -176.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -79.43 11.54 2.94 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.779 -0.575 . . . . 0.0 111.572 -171.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.8 tp -66.16 -20.33 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.82 1.248 . . . . 0.0 111.633 -173.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -86.52 -13.2 46.65 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 112.28 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -68.78 -61.53 1.77 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 120.426 1.466 . . . . 0.0 110.291 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.61 ' H ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.82 -29.06 64.63 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.085 -176.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.34 -50.79 71.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.55 -9.64 58.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.256 1.022 . . . . 0.0 111.353 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -72.85 0.2 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.671 -1.268 . . . . 0.0 107.974 156.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -61.43 -28.87 69.57 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.78 -54.71 17.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 119.949 1.25 . . . . 0.0 111.0 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.11 -32.99 74.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.272 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.41 -23.88 67.59 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -91.41 -31.08 16.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.201 1.364 . . . . 0.0 111.182 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.6 -31.2 70.21 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.033 1.333 . . . . 0.0 110.275 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -68.65 -9.72 51.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.923 1.689 . . . . 0.0 111.308 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -86.36 2.55 47.07 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 121.139 -0.976 . . . . 0.0 111.51 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 124.109 0.964 . . . . 0.0 109.511 -167.095 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . 0.294 4.0 p-80 48.31 33.35 3.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.359 1.863 . . . . 0.0 112.592 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.73 -45.89 13.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.847 1.259 . . . . 0.0 111.145 -170.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.71 -34.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.0 ptm 176.09 121.97 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 126.559 1.943 . . . . 0.0 107.485 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -94.23 55.27 2.0 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.936 0.874 . . . . 0.0 109.92 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t0 73.41 38.9 0.62 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.106 2.162 . . . . 0.0 115.019 165.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -95.99 75.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 123.634 1.683 . . . . 0.0 112.029 -162.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 pttt -95.83 89.96 5.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 126.865 2.066 . . . . 0.0 110.506 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 16' ' ' LEU . 18.7 p -64.65 130.37 43.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.431 1.11 . . . . 0.0 111.436 -173.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -142.68 166.08 25.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 127.573 2.349 . . . . 0.0 106.3 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m 44.45 107.56 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.03 2.532 . . . . 0.0 115.521 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.78 -20.73 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 119.906 -1.746 . . . . 0.0 113.248 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -37.88 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.39 1.076 . . . . 0.0 111.846 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.49 -54.09 5.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 120.06 1.3 . . . . 0.0 108.787 176.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 10' ' ' CYS . 6.1 mt -68.46 -39.54 81.38 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.462 1.905 . . . . 0.0 112.172 -158.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 t -55.05 -48.5 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 125.696 1.598 . . . . 0.0 109.462 172.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 HD12 ' A' ' 70' ' ' ILE . 94.7 t -59.97 -23.26 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.282 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -87.85 -48.72 7.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.336 1.426 . . . . 0.0 110.309 178.346 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.6 -17.99 62.89 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.994 0.918 . . . . 0.0 112.871 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -58.51 -23.52 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.468 1.507 . . . . 0.0 111.291 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.698 HD23 HE21 ' A' ' 65' ' ' GLN . 1.9 mm? -108.61 -80.84 0.57 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.905 0.775 . . . . 0.0 109.804 -173.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.9 26.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.545 1.938 . . . . 0.0 112.446 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.56 153.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-O 122.522 1.153 . . . . 0.0 110.85 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -108.68 112.24 24.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -60.06 -30.73 69.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.83 0.452 . . . . 0.0 110.165 170.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 t -70.91 23.49 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.891 1.676 . . . . 0.0 112.899 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -133.13 157.18 45.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 120.479 1.49 . . . . 0.0 109.188 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -20.34 48.47 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.608 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 61' ' ' LEU . 1.9 tm? -58.42 -52.76 64.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 118.267 0.485 . . . . 0.0 110.925 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -54.36 -35.94 63.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.602 -0.686 . . . . 0.0 111.215 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 -31.44 45.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.8 -49.1 49.98 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 125.792 1.637 . . . . 0.0 108.494 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.22 -42.67 54.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.037 -172.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.58 -59.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.22 1.408 . . . . 0.0 109.99 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -44.42 82.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.349 0.977 . . . . 0.0 111.326 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.64 -27.86 66.38 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.38 -0.825 . . . . 0.0 110.962 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' ND1' HD11 ' A' ' 15' ' ' LEU . 79.3 t60 -57.22 -49.01 77.35 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.356 0.98 . . . . 0.0 111.177 171.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -57.35 -49.14 77.09 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -61.46 -16.73 49.87 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 117.726 -1.13 . . . . 0.0 112.401 -170.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 ' HG3' ' A' ' 77' ' ' MET . 9.0 mm -64.67 -68.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 170.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.36 -26.42 67.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.968 0.907 . . . . 0.0 109.621 -171.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.99 -0.65 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.941 1.296 . . . . 0.0 110.956 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 170.25 0.63 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.661 0.784 . . . . 0.0 110.883 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -66.96 0.5 Allowed 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 172.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -125.0 170.54 11.03 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.596 1.189 . . . . 0.0 110.45 -165.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.0 m -50.11 -53.03 30.16 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.014 2.126 . . . . 0.0 112.209 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -62.45 -46.15 89.84 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 119.25 -0.98 . . . . 0.0 108.572 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.24 -26.25 62.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.86 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.82 83.01 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.626 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -102.91 -23.35 13.74 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.06 -23.68 21.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.747 1.219 . . . . 0.0 113.075 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -34.71 15.76 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 117.659 -1.162 . . . . 0.0 112.952 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptp -65.11 -38.57 91.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.0 1.727 . . . . 0.0 111.42 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 58' ' ' LEU . 26.8 m -64.61 -19.88 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 122.183 0.992 . . . . 0.0 112.716 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.2 m -101.38 16.19 26.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.132 2.573 . . . . 0.0 110.606 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.32 -59.45 1.64 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -64.04 7.44 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.859 2.464 . . . . 0.0 116.569 -167.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -134.92 -19.35 1.78 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.456 2.302 . . . . 0.0 111.064 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 57' ' ' LEU . 8.2 p -70.86 -39.71 75.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 119.998 -1.689 . . . . 0.0 109.279 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 30' ' ' LEU . 1.4 mt -72.07 -42.16 66.56 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.079 0.952 . . . . 0.0 109.274 -172.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.36 -34.47 66.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 14.66 1.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.804 0.841 . . . . 0.0 112.047 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.45 -6.34 4.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 112.739 167.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.698 HE21 HD23 ' A' ' 22' ' ' LEU . 6.5 pt20 -154.31 -28.61 0.12 Allowed 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -173.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.79 68.29 1.72 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.964 1.269 . . . . 0.0 111.852 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.12 175.24 9.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.536 1.534 . . . . 0.0 112.476 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -56.66 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.17 1.388 . . . . 0.0 114.115 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -73.81 16.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.552 2.741 . . . . 0.0 111.987 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 6.0 tp -64.22 -24.43 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.565 1.146 . . . . 0.0 112.112 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -85.8 -10.87 54.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.933 -0.479 . . . . 0.0 111.469 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -49.41 70.15 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -171.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.04 -33.5 70.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.233 173.578 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.3 m -69.08 -24.62 64.16 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 119.903 1.229 . . . . 0.0 112.647 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -95.27 -5.69 43.08 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.986 0.812 . . . . 0.0 110.841 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -103.19 -63.88 1.13 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.418 1.087 . . . . 0.0 109.5 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG3' HG21 ' A' ' 41' ' ' ILE . 7.2 ptt? -68.02 -33.53 74.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.653 -1.279 . . . . 0.0 112.523 -171.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.45 -30.78 71.81 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.389 -0.819 . . . . 0.0 109.43 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.66 -40.02 30.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 110.446 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.07 -11.97 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.748 1.219 . . . . 0.0 113.637 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -30.13 14.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 120.364 1.438 . . . . 0.0 112.124 165.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.12 89.91 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.1 t -61.32 -8.5 3.93 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 129.511 3.124 . . . . 0.0 111.415 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.77 1.04 56.6 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.178 -0.951 . . . . 0.0 112.013 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--O 1.252 1.216 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -157.512 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.644 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -147.17 143.86 28.53 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -130.9 143.88 51.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.704 1.201 . . . . 0.0 108.9 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 23.59 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 75.11 -179.65 0.18 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.639 1.975 . . . . 0.0 110.72 -157.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.95 168.09 23.18 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.817 2.047 . . . . 0.0 108.062 -175.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.43 62.8 4.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.13 1.443 . . . . 0.0 109.849 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.1 t -97.3 66.45 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 127.448 2.299 . . . . 0.0 111.185 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -2.55 27.6 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.194 -0.941 . . . . 0.0 113.429 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HD11 ' A' ' 16' ' ' LEU . 73.7 m 48.33 52.23 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.757 1.265 . . . . 0.0 110.794 -171.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -59.52 168.5 1.58 Allowed 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.495 1.918 . . . . 0.0 108.025 151.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.37 97.84 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.411 2.685 . . . . 0.0 113.6 166.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -55.22 -18.81 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 120.483 -1.386 . . . . 0.0 114.489 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.27 -27.51 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.019 0.827 . . . . 0.0 110.91 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -77.96 -50.04 12.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 124.202 1.953 . . . . 0.0 108.906 174.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 10' ' ' CYS . 3.2 mt -64.2 -40.64 96.51 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 128.126 2.571 . . . . 0.0 110.172 -165.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -59.45 -44.07 93.03 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.952 1.301 . . . . 0.0 109.231 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.38 -17.86 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.488 1.115 . . . . 0.0 111.498 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -49.09 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 120.165 -1.584 . . . . 0.0 109.702 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -67.71 -18.73 65.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.887 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -51.34 -30.79 19.69 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.111 1.364 . . . . 0.0 111.008 172.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 67' ' ' ALA . 2.7 mm? -114.95 -87.2 0.59 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.801 -164.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.51 39.08 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.799 2.44 . . . . 0.0 109.999 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.03 132.66 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 121.334 -0.853 . . . . 0.0 110.711 -173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.05 94.57 0.07 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.632 1.573 . . . . 0.0 108.246 166.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 p -66.81 -4.75 9.96 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 112.073 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -95.26 -2.12 50.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.758 1.623 . . . . 0.0 112.326 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 m -117.18 163.33 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 121.502 1.955 . . . . 0.0 111.638 -171.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -28.2 62.45 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.851 -0.531 . . . . 0.0 111.843 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 30' ' ' LEU . 3.2 tm? -53.9 -49.56 68.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.581 0.352 . . . . 0.0 110.84 -177.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.45 -44.64 65.64 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 122.375 0.27 . . . . 0.0 110.549 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -31.7 71.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.438 -0.792 . . . . 0.0 111.945 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -58.17 -21.02 45.42 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 120.172 1.351 . . . . 0.0 112.521 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -55.88 3.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 165.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.55 -55.06 25.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -168.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -69.35 -21.18 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.6 -0.687 . . . . 0.0 112.071 -178.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.3 -19.35 23.06 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.812 -0.555 . . . . 0.0 109.852 -168.467 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -59.96 -59.36 5.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.264 1.026 . . . . 0.0 111.682 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -58.99 -32.73 69.95 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.254 -0.279 . . . . 0.0 110.865 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -16.14 49.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.572 -1.204 . . . . 0.0 112.594 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -77.61 -46.27 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.6 mm? -68.7 -32.7 72.7 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.487 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.92 -0.02 57.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.946 0.499 . . . . 0.0 110.918 -176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 170.42 16.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.155 0.979 . . . . 0.0 111.548 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -71.44 -74.09 0.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.301 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -103.44 170.5 7.91 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -60.22 -47.97 83.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.536 1.134 . . . . 0.0 112.096 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 t -58.7 -42.32 88.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 108.856 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -27.57 57.89 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.673 -0.642 . . . . 0.0 111.329 -174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.98 -62.94 1.37 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.205 1.002 . . . . 0.0 109.758 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -20.23 62.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.133 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -53.79 -26.29 23.15 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.109 -0.994 . . . . 0.0 112.556 168.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 17.2 mttm -73.66 -46.6 45.57 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 120.727 -1.233 . . . . 0.0 111.797 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.54 -37.42 82.67 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.384 0.993 . . . . 0.0 110.907 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 58' ' ' LEU . 96.6 t -65.17 -4.89 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 125.274 1.429 . . . . 0.0 111.237 176.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.0 m -112.43 10.16 19.75 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.286 1.434 . . . . 0.0 112.102 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 58' ' ' LEU . 1.9 pp -120.22 -32.9 4.03 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.683 1.583 . . . . 0.0 111.602 171.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -68.61 2.64 2.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.989 1.716 . . . . 0.0 113.66 -170.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -127.57 -15.16 5.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.983 2.513 . . . . 0.0 110.56 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 57' ' ' LEU . 28.8 t -71.06 -61.77 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -37.0 73.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -164.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 70' ' ' ILE . 4.9 mt -63.55 -37.25 86.61 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.983 0.513 . . . . 0.0 110.079 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 18.52 0.64 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.236 0.541 . . . . 0.0 111.989 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -1.79 3.12 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.458 -1.258 . . . . 0.0 113.348 165.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -152.31 -25.76 0.17 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 118.124 2.638 . . . . 0.0 118.124 -164.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.62 48.02 52.79 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 120.574 1.534 . . . . 0.0 114.377 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -83.98 174.5 10.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.79 1.295 . . . . 0.0 111.467 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.42 -55.34 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -76.74 27.08 0.13 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.383 1.473 . . . . 0.0 112.35 -167.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.478 HG21 HD11 ' A' ' 62' ' ' LEU . 6.2 tp -63.3 -31.28 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 O-C-N 120.325 -1.484 . . . . 0.0 109.87 -171.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -75.17 -18.05 60.26 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.303 0.641 . . . . 0.0 111.538 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -49.23 69.0 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 120.384 1.447 . . . . 0.0 110.505 -172.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.584 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.4 OUTLIER -60.56 -34.37 74.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.556 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.57 -14.11 56.14 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.214 0.915 . . . . 0.0 113.005 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -116.41 22.51 12.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.659 1.584 . . . . 0.0 109.093 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -135.82 -65.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.809 0.844 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.584 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.7 ptt? -61.57 -27.6 68.74 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 121.234 1.834 . . . . 0.0 112.552 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.24 -49.88 72.38 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.753 0.821 . . . . 0.0 108.901 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.36 -37.9 85.04 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.724 1.21 . . . . 0.0 112.125 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -66.6 -25.49 66.64 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.423 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -34.59 15.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.865 1.212 . . . . 0.0 110.837 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -16.14 62.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -65.4 -18.46 65.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.612 0.765 . . . . 0.0 110.514 171.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.1 mt -101.97 15.69 28.26 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.267 1.827 . . . . 0.0 110.936 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.178 172.161 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 CA-C-O 120.094 -0.281 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -138.9 132.82 31.01 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.653 1.226 . . . . 0.0 108.523 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -116.24 165.65 12.94 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.182 1.793 . . . . 0.0 108.644 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.3 152.92 39.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 167.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.5 ptm -62.58 152.82 33.92 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 123.79 0.681 . . . . 0.0 110.037 170.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -124.78 14.65 8.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.174 1.39 . . . . 0.0 110.823 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 60.78 0.74 Allowed 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.378 1.471 . . . . 0.0 109.922 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.98 88.65 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 -161.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 3.1 10.23 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.276 1.6 p 68.37 167.58 0.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.765 2.826 . . . . 0.0 111.3 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -172.98 -67.35 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.88 1.272 . . . . 0.0 108.521 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' HG12 ' A' ' 14' ' ' VAL . 20.4 m -113.17 134.2 54.68 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.702 2.001 . . . . 0.0 106.245 -167.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.82 -20.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.787 -0.571 . . . . 0.0 111.509 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 73' ' ' LEU . 9.8 p -49.84 -33.77 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 127.024 2.13 . . . . 0.0 112.285 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD23 HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -77.95 -54.6 6.12 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.083 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' CD2' ' HE1' ' A' ' 31' ' ' TRP . 1.4 mt -76.55 -41.12 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 127.083 2.153 . . . . 0.0 112.78 -161.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -62.18 -36.02 80.6 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.841 0.856 . . . . 0.0 109.832 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.6 -27.08 40.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 O-C-N 121.043 -1.036 . . . . 0.0 109.699 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -45.02 17.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.221 1.373 . . . . 0.0 108.518 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.5 -8.55 48.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.013 2.125 . . . . 0.0 112.414 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -67.6 -32.58 73.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.396 0.998 . . . . 0.0 110.221 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' A' ' 65' ' ' GLN . 2.1 mm? -105.48 -85.75 0.48 Allowed 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.509 0.595 . . . . 0.0 110.229 -165.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.6 35.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.176 1.79 . . . . 0.0 111.182 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.28 147.27 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -170.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.83 88.61 1.03 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.209 -1.814 . . . . 0.0 108.288 165.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 p -66.69 -33.27 75.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -74.06 29.76 0.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.661 1.184 . . . . 0.0 112.066 172.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -150.41 171.1 17.57 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.023 -1.673 . . . . 0.0 110.962 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.472 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.2 tm? -58.71 -56.55 20.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.068 -0.491 . . . . 0.0 109.708 -169.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.411 ' HE1' ' CD2' ' A' ' 16' ' ' LEU . 50.0 t90 -50.75 -37.75 43.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.705 0.684 . . . . 0.0 112.331 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.66 60.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 116.711 -1.614 . . . . 0.0 113.388 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.18 -43.59 10.17 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.488 1.495 . . . . 0.0 109.434 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.36 -54.35 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.127 0.892 . . . . 0.0 110.791 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.46 -25.39 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.731 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -44.35 15.92 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.401 1.455 . . . . 0.0 110.452 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.48 -12.06 59.59 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.649 -0.657 . . . . 0.0 111.477 -167.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.21 -57.11 14.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.066 0.936 . . . . 0.0 109.835 167.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -37.18 83.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -167.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -23.7 4.73 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 125.734 1.614 . . . . 0.0 112.49 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.07 -64.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.11 -33.81 72.63 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.338 1.055 . . . . 0.0 109.295 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.93 -0.63 56.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.943 1.697 . . . . 0.0 111.703 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 170.69 1.29 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.377 1.071 . . . . 0.0 112.621 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -62.52 -56.89 13.76 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.087 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -136.31 178.24 7.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.071 0.949 . . . . 0.0 110.89 -163.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 m -55.62 -61.89 2.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.258 1.423 . . . . 0.0 111.436 173.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -65.04 -46.2 82.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -171.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.44 -20.77 66.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.807 2.043 . . . . 0.0 112.109 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.81 -52.46 43.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 118.391 0.541 . . . . 0.0 110.41 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -84.87 -24.22 28.64 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.184 -0.948 . . . . 0.0 111.6 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.98 -18.72 59.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.643 1.177 . . . . 0.0 113.482 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.67 -33.7 14.96 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.896 -1.127 . . . . 0.0 112.193 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptp -68.46 -31.38 70.63 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.965 1.257 . . . . 0.0 112.408 -174.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.5 -32.09 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.495 1.518 . . . . 0.0 110.525 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.0 m -85.86 1.63 49.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.514 -1.366 . . . . 0.0 111.626 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.67 -46.23 6.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.12 1.768 . . . . 0.0 112.194 166.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.99 2.4 5.72 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 118.963 -2.336 . . . . 0.0 117.19 -167.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -114.36 -33.85 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.789 1.177 . . . . 0.0 110.737 172.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.97 -30.37 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 121.441 -0.787 . . . . 0.0 112.885 -172.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.462 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 2.3 mm? -70.66 -46.28 63.53 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.198 0.908 . . . . 0.0 108.734 170.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.3 -38.01 76.2 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 121.944 -0.473 . . . . 0.0 111.715 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.2 t -63.92 -5.18 4.07 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.674 1.59 . . . . 0.0 112.07 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.423 ' HE3' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -126.05 -3.35 6.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.608 1.163 . . . . 0.0 113.028 175.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 61' ' ' LEU . 3.9 pt20 -154.35 -16.47 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.84 59.61 8.47 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 120.019 1.281 . . . . 0.0 113.269 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 178.35 2.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.711 0.804 . . . . 0.0 111.633 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m -113.34 -62.52 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 118.75 -0.643 . . . . 0.0 112.154 170.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -66.97 20.74 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.423 3.089 . . . . 0.0 114.531 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tp -69.26 -23.15 26.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 120.611 -1.306 . . . . 0.0 110.924 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -81.98 -18.51 43.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 118.809 0.731 . . . . 0.0 109.058 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -29.74 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.704 -1.247 . . . . 0.0 110.761 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 14' ' ' VAL . 1.5 mp -53.09 -57.17 11.32 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.161 1.384 . . . . 0.0 110.459 171.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.3 p -52.8 -48.72 66.7 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.98 5.52 11.47 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 118.516 -1.274 . . . . 0.0 111.985 -172.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -107.96 -85.71 0.52 Allowed 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.747 1.619 . . . . 0.0 109.001 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE1' HD23 ' A' ' 73' ' ' LEU . 11.5 ptt? -59.84 -25.06 64.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.39 1.076 . . . . 0.0 113.347 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -46.58 32.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.657 -1.277 . . . . 0.0 109.12 176.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.32 -37.43 83.24 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.863 0.865 . . . . 0.0 110.05 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -77.45 -20.61 54.2 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 125.949 1.7 . . . . 0.0 113.305 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -36.92 24.66 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 121.812 2.096 . . . . 0.0 108.903 166.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -1.41 12.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.214 1.406 . . . . 0.0 114.163 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.492 HG23 HD12 ' A' ' 84' ' ' LEU . 4.9 t -96.64 -20.72 18.09 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.554 0.615 . . . . 0.0 111.648 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 HG23 ' A' ' 83' ' ' THR . 10.1 mp -78.63 -6.01 54.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.803 -1.811 . . . . 0.0 115.032 -176.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.855 0 C-N-CA 124.031 0.932 . . . . 0.0 111.018 -156.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.695 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -157.87 -46.49 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 O-C-N 121.626 -0.926 . . . . 0.0 108.636 168.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -75.1 169.92 17.06 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.807 0.843 . . . . 0.0 111.18 172.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 57.45 115.98 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.905 2.082 . . . . 0.0 109.945 -166.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -43.77 -38.77 3.39 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.047 0.939 . . . . 0.0 111.423 169.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m 66.9 170.72 0.25 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.518 1.927 . . . . 0.0 109.019 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -86.91 61.62 6.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.842 1.305 . . . . 0.0 109.316 -164.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -98.28 82.81 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 126.776 2.03 . . . . 0.0 107.966 -157.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.1 26.81 8.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p 44.92 35.8 1.66 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.281 2.232 . . . . 0.0 113.871 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -55.62 127.29 29.18 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.075 2.55 . . . . 0.0 105.729 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 m 54.67 110.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 129.876 3.27 . . . . 0.0 115.093 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -20.04 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 O-C-N 120.334 -1.479 . . . . 0.0 114.462 174.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 t -45.32 -43.74 3.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 124.493 1.117 . . . . 0.0 109.224 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -83.27 -44.74 14.61 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.091 0.957 . . . . 0.0 113.038 178.262 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -41.28 80.35 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.279 0.945 . . . . 0.0 111.179 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -34.21 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 117.268 -1.349 . . . . 0.0 112.449 174.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 70' ' ' ILE . 3.5 t -66.88 -5.74 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 120.555 1.525 . . . . 0.0 111.31 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -114.82 -37.87 4.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.949 1.704 . . . . 0.0 110.617 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -69.93 -28.15 65.35 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.142 1.777 . . . . 0.0 111.45 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.14 -18.61 58.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.828 1.251 . . . . 0.0 110.622 171.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.7 mm? -107.45 -86.66 0.49 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.786 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.88 28.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.511 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.72 149.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.25 1.02 . . . . 0.0 109.689 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.0 127.07 49.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -52.35 -48.55 65.46 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.094 1.358 . . . . 0.0 110.556 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -70.25 31.89 0.04 OUTLIER 'General case' 0 C--O 1.238 0.459 0 C-N-CA 129.852 3.261 . . . . 0.0 113.716 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -140.56 141.22 35.25 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.931 1.292 . . . . 0.0 108.348 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -24.54 16.15 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.46 -40.23 78.05 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 125.1 1.36 . . . . 0.0 111.592 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -58.02 -37.38 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.613 0.244 . . . . 0.0 111.282 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 -29.11 27.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -55.33 -21.96 17.16 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.668 1.587 . . . . 0.0 114.17 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.6 -50.1 3.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.05 -64.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.969 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.39 72.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.958 1.254 . . . . 0.0 111.685 -171.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -20.91 62.26 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 121.615 -0.678 . . . . 0.0 110.86 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -58.65 -59.11 5.92 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.779 0.718 . . . . 0.0 110.823 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -64.23 -27.88 69.36 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.8 -0.563 . . . . 0.0 111.743 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -62.29 -12.32 20.11 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.843 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -80.71 -46.78 21.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 121.46 1.936 . . . . 0.0 106.02 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.1 mm? -72.95 -10.12 59.45 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.304 1.042 . . . . 0.0 111.506 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -111.24 11.6 21.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.085 1.354 . . . . 0.0 110.653 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 176.7 4.6 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.087 -1.008 . . . . 0.0 112.043 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -85.79 -84.69 0.16 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.396 1.478 . . . . 0.0 109.394 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 49' ' ' GLU . 49.9 m-20 -79.65 173.7 12.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -69.74 -48.63 58.69 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.468 167.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -55.41 -47.82 75.31 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 15.1 tt0 -76.49 2.58 13.37 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.705 -0.622 . . . . 0.0 111.938 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.14 -62.22 1.57 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 108.699 164.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -70.32 -23.24 62.8 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.051 -1.031 . . . . 0.0 111.631 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.91 -16.53 18.06 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.852 -1.155 . . . . 0.0 113.469 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.99 -24.42 14.93 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 120.578 1.535 . . . . 0.0 112.373 169.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.8 ptp -69.14 -37.05 78.08 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 121.234 1.834 . . . . 0.0 110.947 173.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.01 -14.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-O 121.729 0.775 . . . . 0.0 110.118 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.1 m -78.27 3.61 14.96 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 119.829 -1.795 . . . . 0.0 112.809 167.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.42 -50.8 2.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.577 1.989 . . . . 0.0 113.739 -169.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.43 6.96 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.978 1.711 . . . . 0.0 115.172 178.082 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -133.77 7.65 3.79 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 126.53 1.932 . . . . 0.0 112.847 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.72 -22.19 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 119.811 -1.806 . . . . 0.0 113.365 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' C ' ' A' ' 61' ' ' LEU 0.267 0.0 OUTLIER -111.36 -36.6 5.51 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.292 1.437 . . . . 0.0 110.665 -172.106 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -22.96 66.61 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.333 1.453 . . . . 0.0 111.223 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -64.63 -32.58 74.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.982 2.913 . . . . 0.0 108.162 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.99 -0.71 57.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.209 -0.901 . . . . 0.0 112.358 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 66' ' ' GLY . 2.5 pt20 -146.03 -85.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.855 1.207 . . . . 0.0 113.269 -167.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.493 ' H ' ' HG3' ' A' ' 65' ' ' GLN . . . 120.67 92.89 1.31 Allowed Glycine 0 C--N 1.341 0.845 0 C-N-CA 126.035 1.778 . . . . 0.0 111.653 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.6 176.12 7.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.707 1.603 . . . . 0.0 112.587 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.78 -34.67 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.95 24.35 12.92 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.29 -1.506 . . . . 0.0 110.147 -166.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.443 ' CD1' HG11 ' A' ' 18' ' ' VAL . 9.1 tp -61.43 -28.28 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 123.077 1.417 . . . . 0.0 111.297 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -75.76 -15.14 60.31 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.989 1.715 . . . . 0.0 111.111 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -40.85 54.08 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 120.492 -1.38 . . . . 0.0 110.493 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.37 -31.76 72.23 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.92 171.5 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.7 m -59.07 -57.59 12.38 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.524 1.057 . . . . 0.0 110.084 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.38 -16.84 63.04 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.363 1.04 . . . . 0.0 111.818 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -73.25 -72.24 0.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.024 0.829 . . . . 0.0 108.92 167.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -68.32 -21.42 64.75 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 120.015 -1.678 . . . . 0.0 113.958 -164.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -51.56 58.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 119.87 1.214 . . . . 0.0 108.818 170.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.79 -39.81 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.26 1.024 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.37 -18.16 65.19 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.128 0.971 . . . . 0.0 112.686 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.93 -28.36 9.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.708 1.14 . . . . 0.0 111.584 174.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.44 63.27 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 124.529 1.132 . . . . 0.0 111.912 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -65.66 -23.39 66.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.763 1.225 . . . . 0.0 109.768 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.8 mt -83.11 12.8 4.66 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.909 1.284 . . . . 0.0 111.616 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 125.368 1.467 . . . . 0.0 107.391 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.077 0 CA-C-O 118.304 -1.275 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 4.16 0.75 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.84 1.32 . . . . 0.0 114.5 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 m -84.51 129.62 34.83 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 119.213 0.915 . . . . 0.0 111.603 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 112.14 3.65 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 171.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 8' ' ' VAL . 3.0 ptt? 48.89 13.76 0.06 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.781 2.033 . . . . 0.0 114.997 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m 46.97 23.33 0.26 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 126.29 1.836 . . . . 0.0 114.677 -162.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.8 56.82 7.26 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 125.902 2.763 . . . . 0.0 111.306 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 5' ' ' MET . 98.2 t -82.81 88.56 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 171.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.65 10.33 17.98 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.297 1.8 p 67.41 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 129.018 2.927 . . . . 0.0 112.623 -171.128 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.388 0.6 OUTLIER 75.24 -162.08 0.06 Allowed 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.856 1.662 . . . . 0.0 110.385 171.52 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -44.46 127.47 5.91 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 131.232 3.813 . . . . 0.0 109.252 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -59.16 -22.34 21.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.83 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -50.02 -31.98 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.543 1.537 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.4 -51.08 6.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.825 1.298 . . . . 0.0 108.78 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 10' ' ' CYS . 2.9 mt -62.62 -41.83 99.23 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.896 -166.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -50.87 -39.48 54.03 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.574 1.949 . . . . 0.0 110.893 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.13 -34.72 72.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 C-N-CA 125.716 1.606 . . . . 0.0 111.326 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -44.51 17.69 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 120.765 -1.209 . . . . 0.0 109.577 177.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.91 -29.59 70.54 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.122 1.369 . . . . 0.0 112.19 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -67.85 -9.18 42.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.806 1.184 . . . . 0.0 111.567 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' A' ' 21' ' ' GLN . 2.8 mm? -108.93 -86.71 0.51 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.21 24.81 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.184 1.394 . . . . 0.0 112.017 -171.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.97 135.73 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 119.017 0.826 . . . . 0.0 111.31 -167.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.66 89.17 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.381 1.872 . . . . 0.0 108.115 165.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 p -64.18 -17.0 63.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.825 0.85 . . . . 0.0 111.104 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 4.61 49.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.372 1.869 . . . . 0.0 113.318 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -116.14 158.57 23.02 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.104 1.32 . . . . 0.0 109.099 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -28.02 26.24 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 30' ' ' LEU . 2.5 tm? -51.31 -44.29 61.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.761 0.825 . . . . 0.0 111.473 -175.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.18 -49.35 77.34 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.45 -0.781 . . . . 0.0 111.186 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -68.6 -34.06 75.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.374 0.67 . . . . 0.0 112.498 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -52.58 -27.69 17.85 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 127.068 2.147 . . . . 0.0 111.349 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -54.22 4.48 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 32' ' ' ALA . 13.0 p -64.7 -48.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.999 0.904 . . . . 0.0 111.53 -169.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -27.02 68.69 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.309 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 57' ' ' LEU . 12.3 tp -88.48 -16.63 32.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.375 0.67 . . . . 0.0 110.815 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.98 -52.94 23.59 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.012 1.325 . . . . 0.0 110.027 170.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.78 -37.8 88.74 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.059 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.06 -3.83 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.886 1.274 . . . . 0.0 111.935 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -74.47 -58.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 125.642 1.577 . . . . 0.0 109.194 167.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.8 mt -71.04 -38.72 72.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.301 -0.874 . . . . 0.0 109.539 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.8 10.42 4.14 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.04 1.736 . . . . 0.0 110.851 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.89 170.05 10.42 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.489 1.138 . . . . 0.0 112.82 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -62.26 -57.44 11.39 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 127.359 2.264 . . . . 0.0 112.241 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -147.49 166.93 25.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.525 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 4.4 m -50.61 -52.03 43.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.835 1.254 . . . . 0.0 112.673 173.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 t -63.11 -42.05 99.49 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -172.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.62 -25.36 41.45 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 122.235 -0.29 . . . . 0.0 110.729 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.34 -70.3 0.15 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -18.74 61.51 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.015 -165.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.82 -53.95 10.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.322 1.449 . . . . 0.0 111.386 171.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -75.68 -14.88 60.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.404 -0.81 . . . . 0.0 112.68 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -75.4 -48.02 24.79 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 120.429 -1.42 . . . . 0.0 110.501 171.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 m -77.5 -13.28 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -74.34 -49.72 21.7 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 165.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.69 -26.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -164.659 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -56.67 -26.21 55.84 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.172 -1.58 . . . . 0.0 110.586 177.104 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.5 t -91.1 -30.12 16.91 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.257 1.823 . . . . 0.0 109.8 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.97 -1.26 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 121.701 0.762 . . . . 0.0 111.147 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.427 HD23 HD21 ' A' ' 30' ' ' LEU . 23.6 mt -132.64 -57.59 0.94 Allowed 'General case' 0 CA--C 1.5 -0.947 0 C-N-CA 126.693 1.997 . . . . 0.0 110.334 -163.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.32 -29.23 63.78 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.064 0.847 . . . . 0.0 110.068 174.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -66.02 -43.08 88.67 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.045 0.841 . . . . 0.0 109.009 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -18.46 40.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.559 1.143 . . . . 0.0 113.086 -174.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -138.23 -23.33 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.462 2.393 . . . . 0.0 117.462 -166.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.56 60.79 8.36 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 119.851 1.205 . . . . 0.0 112.822 -170.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.06 -179.78 7.51 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.891 0.876 . . . . 0.0 110.813 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.67 -51.61 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 123.743 0.817 . . . . 0.0 111.383 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -74.21 13.13 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.437 1.495 . . . . 0.0 113.874 -164.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.75 -25.17 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 120.253 -1.53 . . . . 0.0 112.302 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -22.27 54.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 117.183 -1.389 . . . . 0.0 111.115 178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.05 -52.2 60.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 121.206 1.821 . . . . 0.0 110.357 -167.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -59.14 -35.11 72.92 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.665 0.386 . . . . 0.0 111.361 172.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.38 1.12 10.3 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.438 1.095 . . . . 0.0 113.151 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -117.46 8.69 13.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.585 0.754 . . . . 0.0 110.019 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -104.5 -65.84 1.0 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.421 1.488 . . . . 0.0 108.899 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -69.48 -16.23 63.42 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.745 0.818 . . . . 0.0 112.29 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -53.54 16.31 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.52 -39.81 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.898 0.856 . . . . 0.0 110.727 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -69.3 -23.69 63.85 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.072 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.525 ' CZ ' HG23 ' A' ' 47' ' ' THR . 9.8 ptt85 -74.87 -32.9 62.0 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 122.018 2.19 . . . . 0.0 110.289 168.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 -26.24 60.73 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.633 0.773 . . . . 0.0 111.485 -167.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.464 HG23 HD12 ' A' ' 84' ' ' LEU . 7.5 t -64.51 -28.33 69.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.504 0.593 . . . . 0.0 110.862 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 83' ' ' THR . 5.1 mp -74.89 -4.82 40.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.893 1.277 . . . . 0.0 113.7 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--O 1.249 1.076 0 C-N-CA 124.531 1.133 . . . . 0.0 111.01 -166.438 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.874 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -75.13 106.84 6.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -129.8 -59.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.999 1.32 . . . . 0.0 109.849 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 114.8 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.721 1.208 . . . . 0.0 108.544 166.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.276 21.0 ptm 46.62 -163.82 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.92 1.288 . . . . 0.0 112.007 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -147.13 39.16 1.0 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.404 -0.81 . . . . 0.0 110.376 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.24 39.18 7.57 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 123.247 1.499 . . . . 0.0 113.266 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG12 ' HB3' ' A' ' 36' ' ' GLN . 16.0 m -86.55 56.76 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.971 1.308 . . . . 0.0 109.871 -164.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 18.06 14.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.131 0.973 . . . . 0.0 113.376 -168.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.0 m 59.36 148.73 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.963 2.905 . . . . 0.0 113.032 -175.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 p -138.18 -84.81 0.29 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.632 -0.668 . . . . 0.0 110.135 -156.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -113.48 134.03 54.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 129.305 3.042 . . . . 0.0 106.359 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.6 -17.24 21.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-O 116.787 -1.578 . . . . 0.0 113.418 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -44.74 -51.01 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 124.396 1.079 . . . . 0.0 108.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -47.91 18.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.789 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.83 -32.62 67.78 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.788 0.722 . . . . 0.0 112.531 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -59.41 -39.24 82.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.378 1.471 . . . . 0.0 110.208 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.97 -33.66 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 119.731 1.15 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.573 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.5 mm? -78.4 -50.72 11.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.332 -0.855 . . . . 0.0 109.861 -174.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.23 -19.01 63.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.721 1.208 . . . . 0.0 112.421 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.94 -2.23 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 128.083 2.553 . . . . 0.0 111.662 166.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 65' ' ' GLN 0.256 0.0 OUTLIER -125.56 -85.1 0.63 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 111.607 152.676 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -22.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.171 1.388 . . . . 0.0 112.911 -176.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 19' ' ' LEU 0.338 3.1 p 43.88 -174.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 130.326 3.45 . . . . 0.0 113.669 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 34.4 mt-10 -126.39 105.97 9.16 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 127.705 2.402 . . . . 0.0 108.079 167.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -53.34 -50.2 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.57 1.148 . . . . 0.0 109.088 164.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 m -73.68 69.89 1.33 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.836 1.654 . . . . 0.0 109.777 170.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 t -159.17 169.06 25.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 164.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -32.1 68.78 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.0 155.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.7 tm? -56.85 -58.5 7.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.728 0.694 . . . . 0.0 112.08 -167.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -50.7 -38.2 45.64 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.146 0.885 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.47 56.03 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 118.207 -0.901 . . . . 0.0 112.253 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -45.7 -34.71 3.71 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.899 1.68 . . . . 0.0 111.739 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -59.56 2.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.16 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 10' ' ' CYS . 4.7 p -62.51 -40.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 124.099 0.96 . . . . 0.0 112.952 -173.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -63.26 -32.79 74.28 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.166 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 3.0 tt -91.68 -30.92 16.04 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.967 -0.458 . . . . 0.0 110.416 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -51.41 -50.95 58.66 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.854 1.262 . . . . 0.0 109.553 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -73.41 -32.41 64.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.142 -1.409 . . . . 0.0 112.432 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 4.6 m-20 -59.33 -19.98 50.83 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.406 1.457 . . . . 0.0 111.326 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.05 -63.6 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 120.1 1.318 . . . . 0.0 108.544 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.27 -19.46 64.71 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.914 -0.491 . . . . 0.0 110.533 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.35 19.04 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.254 2.222 . . . . 0.0 110.228 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.94 178.76 1.67 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.93 1.348 . . . . 0.0 111.381 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -77.75 -50.83 11.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.526 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.74 170.72 18.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.137 1.375 . . . . 0.0 108.302 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -52.72 -52.66 55.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.423 1.489 . . . . 0.0 111.558 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -62.16 -43.9 97.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -172.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.46 -29.98 65.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.852 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -60.72 3.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.198 0.599 . . . . 0.0 109.715 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.44 -23.92 58.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.034 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.52 -42.94 64.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.746 0.703 . . . . 0.0 110.39 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -45.91 92.13 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 121.286 -0.884 . . . . 0.0 112.004 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.97 -34.49 77.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.799 0.727 . . . . 0.0 111.035 -172.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.55 -22.72 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.5 m -89.9 23.65 2.68 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.071 -1.643 . . . . 0.0 112.831 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.16 -54.86 1.28 Allowed 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.685 -1.259 . . . . 0.0 109.747 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 8.25 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.789 2.436 . . . . 0.0 115.121 -170.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.25 -28.16 4.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 127.748 2.419 . . . . 0.0 111.468 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.09 -56.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 CA-C-N 119.667 1.121 . . . . 0.0 108.656 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 30' ' ' LEU . 1.2 mt -61.05 -43.0 99.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.193 1.397 . . . . 0.0 108.107 -172.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 70' ' ' ILE . 4.6 mt -64.84 -36.69 85.16 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.275 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -71.69 -1.22 13.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 123.958 0.786 . . . . 0.0 111.961 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -12.66 12.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.246 1.385 . . . . 0.0 112.609 171.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' HB2' ' A' ' 67' ' ' ALA . 5.6 pt20 -149.66 -24.01 0.27 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 -166.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.98 55.53 25.47 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.767 1.621 . . . . 0.0 111.724 -170.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . . . -87.76 168.58 12.83 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.174 1.389 . . . . 0.0 109.504 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.5 -45.55 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -163.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.14 19.0 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.715 1.606 . . . . 0.0 113.145 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 62' ' ' LEU . 7.2 tp -63.89 -30.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 120.5 -1.375 . . . . 0.0 113.011 -162.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -81.29 -18.68 45.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.631 1.573 . . . . 0.0 111.418 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -63.21 -53.12 58.12 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.66 1.118 . . . . 0.0 109.405 -171.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -31.63 65.06 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 118.587 -0.721 . . . . 0.0 112.824 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.67 -51.7 68.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.033 0.833 . . . . 0.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.99 -6.45 47.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.974 0.51 . . . . 0.0 111.925 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.31 -73.36 0.36 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 166.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -59.7 -34.61 73.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -170.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.63 -29.23 69.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.422 1.01 . . . . 0.0 111.618 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.77 -36.93 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.346 0.593 . . . . 0.0 110.229 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.21 -24.7 67.77 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.894 0.878 . . . . 0.0 112.447 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -43.98 16.96 Favored 'General case' 0 CA--C 1.523 -0.076 0 CA-C-N 119.079 0.854 . . . . 0.0 110.881 167.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.73 70.29 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.464 -0.772 . . . . 0.0 112.716 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.443 HG23 ' HG ' ' A' ' 84' ' ' LEU . 9.7 t -65.27 -18.79 65.59 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.559 1.143 . . . . 0.0 111.09 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' HG ' HG23 ' A' ' 83' ' ' THR . 88.7 mt -115.43 -5.96 12.29 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.05 -1.656 . . . . 0.0 115.121 -170.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 128.3 2.64 . . . . 0.0 111.533 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.591 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -85.4 94.87 9.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.445 1.498 . . . . 0.0 109.234 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -74.73 132.8 41.93 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.623 0.769 . . . . 0.0 110.892 -175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' HE3' ' HB2' ' A' ' 5' ' ' MET . 0.0 OUTLIER -123.47 -46.76 2.01 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 117.75 -1.119 . . . . 0.0 113.388 -177.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -161.4 108.95 1.46 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 119.564 1.074 . . . . 0.0 110.214 -171.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -122.77 36.45 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.173 0.989 . . . . 0.0 111.204 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.79 48.83 20.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 124.155 1.931 . . . . 0.0 112.176 167.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.32 78.88 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 113.492 -1.686 . . . . 0.0 107.437 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.45 23.76 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.9 m 58.54 149.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.394 2.278 . . . . 0.0 112.814 -167.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -165.58 156.86 14.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.833 1.653 . . . . 0.0 106.936 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t 49.62 174.55 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.313 2.245 . . . . 0.0 110.543 -166.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.94 -12.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 O-C-N 120.037 -1.665 . . . . 0.0 109.969 165.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -55.45 -34.11 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.203 1.001 . . . . 0.0 109.35 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 -42.85 12.25 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 172.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.1 -34.63 78.5 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 112.275 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -23.28 65.02 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.545 -0.722 . . . . 0.0 112.069 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.97 -27.84 40.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 C-N-CA 124.252 1.021 . . . . 0.0 109.684 167.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.13 -48.89 7.69 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.869 -1.769 . . . . 0.0 110.116 -169.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.41 -21.12 66.1 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.346 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG3' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -71.2 -24.74 62.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.12 1.327 . . . . 0.0 111.638 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' HG3' ' A' ' 21' ' ' GLN . 1.4 mm? -117.84 8.34 12.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.146 1.339 . . . . 0.0 113.614 -175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 71.72 42.92 0.61 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.901 2.08 . . . . 0.0 109.724 160.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -47.66 148.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.929 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.06 82.53 0.97 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 p -62.65 -10.83 13.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.861 1.664 . . . . 0.0 112.181 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 m -114.45 14.3 17.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.538 2.335 . . . . 0.0 111.671 -173.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.18 174.67 10.27 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.311 1.444 . . . . 0.0 109.944 -165.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.94 62.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.676 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -46.3 88.22 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 119.607 -0.837 . . . . 0.0 113.204 -166.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -55.11 -33.57 62.95 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.699 -0.626 . . . . 0.0 111.001 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.45 -22.02 30.48 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -54.48 -24.02 18.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 111.509 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.9 t -92.67 -63.02 1.28 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.255 1.022 . . . . 0.0 110.253 172.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.69 -32.04 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 117.882 -1.056 . . . . 0.0 112.352 -153.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -37.98 85.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.748 1.158 . . . . 0.0 109.774 171.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 53' ' ' LYS . 7.3 tp -77.88 -23.49 48.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.739 1.215 . . . . 0.0 111.621 -170.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -60.83 -50.77 72.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.819 1.248 . . . . 0.0 109.931 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -59.99 -41.86 92.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.94 0.876 . . . . 0.0 110.01 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.93 -9.43 54.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.356 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mm -73.3 -63.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.292 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.07 -25.37 68.34 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -168.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.33 -60.64 1.97 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.25 -153.81 0.03 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.157 0.983 . . . . 0.0 113.589 -173.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -132.81 -54.97 0.94 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.494 1.917 . . . . 0.0 106.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.31 168.11 12.45 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.243 1.817 . . . . 0.0 106.43 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -59.76 -50.84 72.24 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.054 -0.404 . . . . 0.0 110.812 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -57.79 -48.82 78.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.57 -0.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.149 1.379 . . . . 0.0 111.921 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.75 -74.84 0.18 Allowed 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.223 -1.548 . . . . 0.0 108.325 161.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -69.78 -22.91 63.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 121.876 -0.515 . . . . 0.0 111.945 -170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.39 -30.14 51.04 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.101 -0.999 . . . . 0.0 111.964 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HB3' HD11 ' A' ' 37' ' ' LEU . 34.8 mttp -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.195 0.907 . . . . 0.0 111.326 173.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.7 ptp -66.79 -35.4 79.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.132 0.424 . . . . 0.0 111.078 -172.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 49.0 t -65.56 -14.87 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.37 0.668 . . . . 0.0 110.434 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.1 m -107.81 22.33 16.12 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.125 1.77 . . . . 0.0 111.629 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -46.38 1.79 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.444 1.498 . . . . 0.0 107.391 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -75.27 8.57 2.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -165.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -123.61 -43.3 2.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.913 1.685 . . . . 0.0 110.318 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.33 -45.69 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 118.945 0.793 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -47.03 88.26 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 117.901 0.318 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.78 -32.77 67.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.261 0.624 . . . . 0.0 109.781 -174.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -75.34 3.69 8.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 123.338 0.655 . . . . 0.0 112.076 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -14.71 13.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 120.687 -1.258 . . . . 0.0 111.443 167.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -152.3 -23.87 0.17 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 119.654 3.205 . . . . 0.0 119.654 -159.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.53 64.26 4.14 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.617 1.553 . . . . 0.0 113.5 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -84.27 -169.33 2.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.829 -0.806 . . . . 0.0 112.166 174.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.77 -51.12 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.541 0 C-N-CA 124.563 1.145 . . . . 0.0 111.09 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 14.18 1.95 Allowed 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.591 1.182 . . . . 0.0 108.224 -157.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.75 -31.7 50.04 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 120.735 -1.228 . . . . 0.0 110.968 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.15 -27.67 63.72 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.323 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.39 -49.73 70.42 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 118.725 0.693 . . . . 0.0 110.539 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -27.6 68.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.937 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.7 m -59.73 -51.48 69.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.873 0.761 . . . . 0.0 109.104 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -77.63 -6.72 54.77 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.707 0.803 . . . . 0.0 112.864 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -71.48 -69.87 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 156.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -69.11 -24.59 64.14 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -159.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -39.16 77.43 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 119.74 1.154 . . . . 0.0 111.413 173.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.52 -40.89 56.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.397 0.617 . . . . 0.0 109.729 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -65.97 -11.12 45.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.735 1.214 . . . . 0.0 112.858 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -34.27 8.84 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 120.096 1.316 . . . . 0.0 112.184 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.56 71.46 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.295 0.638 . . . . 0.0 112.073 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 t -69.69 -9.73 55.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.718 1.607 . . . . 0.0 111.535 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 65.9 mt -110.27 15.86 22.06 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.744 1.617 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 154.646 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.031 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . 0.298 2.8 p-80 50.99 -163.97 0.05 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.833 2.053 . . . . 0.0 110.992 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -137.42 121.33 17.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.3 tttt 75.51 -75.88 0.07 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.963 -1.926 . . . . 0.0 112.755 -177.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm 174.21 169.65 0.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 131.229 3.812 . . . . 0.0 104.522 -168.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -136.54 43.93 2.42 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.377 0.608 . . . . 0.0 109.398 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 56.73 37.38 28.76 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 123.748 1.737 . . . . 0.0 112.513 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.48 81.28 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.71 1.2 20.98 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 125.2 1.4 . . . . 0.0 112.119 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.08 16.84 5.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.185 1.394 . . . . 0.0 113.205 173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.301 4.3 t 43.71 -86.52 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.87 3.268 . . . . 0.0 114.08 155.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -139.0 143.94 38.69 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 129.506 3.123 . . . . 0.0 107.505 -164.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.741 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.08 -34.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 119.635 1.107 . . . . 0.0 111.667 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.17 -55.17 8.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 119.94 -1.725 . . . . 0.0 107.051 175.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.73 -37.13 85.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 112.61 -2.086 . . . . 0.0 111.696 -160.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -54.54 -39.31 67.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 128.735 2.814 . . . . 0.0 111.555 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.18 -31.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 125.819 1.648 . . . . 0.0 111.29 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -82.39 -48.23 11.38 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.552 -0.718 . . . . 0.0 109.435 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -66.1 -16.64 64.12 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.983 0.913 . . . . 0.0 111.998 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -15.59 31.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 120.05 1.295 . . . . 0.0 112.05 174.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -116.29 -85.94 0.62 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.927 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.6 18.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.953 0.901 . . . . 0.0 113.323 -163.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 19' ' ' LEU . 13.0 p -52.58 162.63 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.789 -1.194 . . . . 0.0 111.595 -172.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 27' ' ' SER . 28.1 mt-10 -121.91 116.94 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.319 1.047 . . . . 0.0 111.557 -173.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -69.47 30.6 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.068 1.747 . . . . 0.0 112.637 164.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 25' ' ' GLU . 6.8 t -140.4 10.39 2.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.413 1.885 . . . . 0.0 110.84 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -134.09 145.16 49.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.989 -1.07 . . . . 0.0 108.654 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.64 -29.96 4.92 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 61' ' ' LEU . 2.1 tm? -53.49 -51.16 63.67 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.051 1.34 . . . . 0.0 111.47 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -49.74 -50.04 45.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.016 0.826 . . . . 0.0 110.912 176.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.92 76.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.84 -39.22 11.58 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.437 1.495 . . . . 0.0 110.248 -177.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.2 -49.59 16.76 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.444 0.465 . . . . 0.0 110.773 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.21 -50.41 68.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 124.339 1.055 . . . . 0.0 111.5 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -43.46 98.84 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' LYS . 5.8 tt -65.79 -32.84 74.61 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.725 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -56.73 -51.96 66.83 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.425 1.011 . . . . 0.0 111.065 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -68.17 -32.45 72.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.464 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.77 -7.37 26.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.577 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.19 -63.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 121.369 1.895 . . . . 0.0 107.423 166.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.45 -22.04 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.43 0.692 . . . . 0.0 110.61 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.8 17.21 23.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.41 1.884 . . . . 0.0 110.83 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.04 -176.81 1.2 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.593 1.187 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -71.06 -51.17 26.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.529 1.932 . . . . 0.0 112.253 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.38 173.04 12.63 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 129.177 2.991 . . . . 0.0 109.116 -166.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -55.39 -55.59 29.83 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.645 1.178 . . . . 0.0 112.344 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 t -68.89 -46.91 67.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -166.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.26 3.88 16.68 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.181 0.515 . . . . 0.0 110.872 -174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.63 1.37 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 164.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -69.78 -27.06 64.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.89 -0.506 . . . . 0.0 111.795 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.98 -9.38 21.17 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.954 -1.092 . . . . 0.0 113.267 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HB3' HD21 ' A' ' 37' ' ' LEU . 36.4 mttm -78.48 -40.21 36.12 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.832 1.196 . . . . 0.0 112.669 163.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.5 ptp -69.27 -38.51 78.41 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.717 -1.24 . . . . 0.0 110.711 -170.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.71 -16.51 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 126.809 2.044 . . . . 0.0 114.401 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -85.44 -48.96 8.49 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 126.015 1.726 . . . . 0.0 109.406 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 60' ' ' VAL 0.276 1.4 pp -62.39 -43.89 97.76 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.284 0.947 . . . . 0.0 112.157 -176.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -60.16 -12.48 8.67 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -172.145 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' HD12 ' A' ' 58' ' ' LEU . 40.6 t -98.45 -50.45 4.3 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 125.493 1.517 . . . . 0.0 108.188 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LEU . 5.5 p -57.94 -41.23 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.61 -58.21 8.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 119.041 0.837 . . . . 0.0 109.656 176.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.1 -21.3 66.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.932 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -80.57 -1.56 42.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.174 0.99 . . . . 0.0 112.168 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -9.43 8.58 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 120.161 1.346 . . . . 0.0 112.934 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -150.93 -30.56 0.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.07 63.52 3.94 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 118.48 0.582 . . . . 0.0 112.134 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.95 19.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.508 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.6 m -104.09 -59.01 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.841 0.746 . . . . 0.0 112.356 173.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -74.02 23.91 0.08 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.883 2.073 . . . . 0.0 114.149 -167.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.42 -26.77 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 120.542 -1.349 . . . . 0.0 112.097 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -5.75 58.79 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.712 0.805 . . . . 0.0 112.525 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -75.25 -59.37 2.77 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 119.901 1.228 . . . . 0.0 109.155 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -21.73 4.35 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.448 1.099 . . . . 0.0 113.651 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.37 -47.49 81.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.773 0.715 . . . . 0.0 109.855 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -67.37 -27.08 66.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.77 0.713 . . . . 0.0 110.63 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -63.7 -85.2 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.972 0.805 . . . . 0.0 109.304 160.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -62.39 -32.24 73.02 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.041 -1.662 . . . . 0.0 114.067 -159.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -48.89 52.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.34 -31.84 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.607 -0.683 . . . . 0.0 110.372 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -18.8 63.98 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.261 -0.899 . . . . 0.0 112.931 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -88.63 -37.13 15.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 119.624 1.102 . . . . 0.0 111.16 164.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -21.83 65.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.333 1.053 . . . . 0.0 113.382 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -61.11 -25.61 67.09 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.18 0.992 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.4 mt -92.24 0.49 57.46 Favored 'General case' 0 N--CA 1.457 -0.107 0 O-C-N 121.167 -0.958 . . . . 0.0 113.031 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.731 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.488 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -155.07 106.97 2.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -147.98 143.66 27.44 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.34 117.69 1.32 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 127.173 2.189 . . . . 0.0 111.546 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 ptt? 44.74 21.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.592 1.557 . . . . 0.0 114.51 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 43.32 24.21 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.304 2.241 . . . . 0.0 113.785 -169.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 t0 55.16 36.02 26.08 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.51 82.34 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -0.16 35.81 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 175.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.578 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.33 1.6 p 61.96 175.45 0.13 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.655 2.782 . . . . 0.0 112.372 -173.403 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -163.14 -53.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -154.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 15' ' ' LEU . 19.1 m -127.53 95.43 4.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -154.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.97 -29.66 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.936 -166.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.9 -51.2 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 124.375 1.047 . . . . 0.0 108.379 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -69.26 -41.99 76.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.909 2.484 . . . . 0.0 111.895 -176.051 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' HG ' ' A' ' 15' ' ' LEU . 4.1 mm? -67.93 -47.98 67.21 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.842 0.857 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -39.63 56.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.815 1.646 . . . . 0.0 111.782 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 18' ' ' VAL . 6.9 t -53.82 -38.96 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 119.569 1.077 . . . . 0.0 112.28 174.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.4 mt -85.64 -43.67 13.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.94 -28.75 67.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.687 1.195 . . . . 0.0 111.035 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -27.9 43.03 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 119.349 0.977 . . . . 0.0 111.75 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -103.11 -81.66 0.5 Allowed 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.85 6.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -165.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -45.35 135.71 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 124.587 1.155 . . . . 0.0 112.13 -164.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -93.15 115.21 27.85 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 p -55.47 -33.64 63.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.577 0.751 . . . . 0.0 110.27 164.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -58.51 -7.47 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.44 2.296 . . . . 0.0 114.175 171.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.9 t -118.22 147.06 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.446 1.475 . . . . 0.0 108.351 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -26.54 5.04 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.013 168.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD11 HD12 ' A' ' 61' ' ' LEU . 2.3 tm? -54.69 -45.31 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.274 1.03 . . . . 0.0 111.179 -174.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -51.37 -56.0 15.5 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.33 73.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.261 1.024 . . . . 0.0 113.571 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -50.95 -43.94 60.34 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 125.596 1.558 . . . . 0.0 108.265 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -4.93 58.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.668 -172.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.24 -51.94 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -40.81 70.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.6 -11.24 59.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.608 1.163 . . . . 0.0 112.249 -173.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -71.62 -45.61 61.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.42 -0.8 . . . . 0.0 109.047 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.86 -46.9 86.67 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -8.21 1.8 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.858 1.663 . . . . 0.0 114.052 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.32 -49.37 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.669 1.122 . . . . 0.0 108.842 168.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.8 -31.87 72.78 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.763 1.625 . . . . 0.0 109.792 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -99.35 13.31 33.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.972 1.309 . . . . 0.0 111.265 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 156.52 38.87 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.678 0.391 . . . . 0.0 110.792 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -61.09 -46.1 92.04 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 123.966 0.906 . . . . 0.0 112.068 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -143.54 -176.25 4.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 109.033 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -64.53 -55.72 18.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.31 1.444 . . . . 0.0 112.087 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t -55.49 -47.97 75.33 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.25 -17.98 64.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.622 1.569 . . . . 0.0 112.625 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.53 -72.2 0.19 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.328 0.967 . . . . 0.0 109.557 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -67.6 -20.84 65.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.264 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 -21.7 2.09 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -103.63 -27.61 12.21 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 119.399 1.0 . . . . 0.0 113.208 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ptp -64.0 -40.86 97.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.222 1.374 . . . . 0.0 109.945 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.61 -6.52 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 125.163 1.385 . . . . 0.0 110.829 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -109.14 8.73 26.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.543 1.137 . . . . 0.0 114.063 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -117.41 -39.28 3.19 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.747 1.612 . . . . 0.0 109.02 176.625 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 5.31 0.38 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 127.418 2.287 . . . . 0.0 115.655 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.79 -3.87 4.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 112.521 172.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 57' ' ' LEU . 7.2 p -66.16 -42.99 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 120.379 1.445 . . . . 0.0 107.353 159.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD12 HD11 ' A' ' 30' ' ' LEU . 2.0 mm? -60.7 -52.71 63.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 70' ' ' ILE . 10.1 mt -68.97 -13.53 62.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -168.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -94.51 -2.09 52.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.443 1.097 . . . . 0.0 110.775 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.28 -35.53 6.26 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.631 1.172 . . . . 0.0 110.871 169.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -133.6 -18.18 2.2 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 117.33 2.345 . . . . 0.0 117.33 -167.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.83 56.15 26.71 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.691 1.132 . . . . 0.0 114.843 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 177.12 3.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.047 0.939 . . . . 0.0 112.802 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 p -123.49 -47.21 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.956 0 C-N-CA 126.01 1.724 . . . . 0.0 111.406 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.31 21.1 1.48 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.029 -159.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.491 HG13 HD21 ' A' ' 62' ' ' LEU . 8.8 mm -46.41 -48.62 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.786 164.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.49 -14.53 62.56 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.172 -166.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -70.91 0.22 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.124 0.969 . . . . 0.0 108.937 174.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -49.54 -32.83 13.25 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.46 1.104 . . . . 0.0 113.087 -176.062 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 86.0 m -54.89 -56.98 13.56 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.735 1.214 . . . . 0.0 108.982 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.23 -11.3 59.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.995 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -88.1 -62.79 1.41 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.35 1.432 . . . . 0.0 108.268 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.51 ' CE ' HD12 ' A' ' 73' ' ' LEU . 18.1 ptt? -66.96 -22.68 65.92 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.2 -1.562 . . . . 0.0 113.32 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.62 -23.98 45.59 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.722 0.692 . . . . 0.0 112.041 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -36.01 12.25 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 118.425 0.557 . . . . 0.0 110.539 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.62 -26.39 21.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.238 1.415 . . . . 0.0 111.367 173.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -37.93 11.33 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.733 0.697 . . . . 0.0 112.068 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.75 66.84 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.193 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -73.81 0.45 13.13 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.426 1.09 . . . . 0.0 110.223 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.17 16.0 25.53 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.416 2.286 . . . . 0.0 110.592 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 115.918 -1.991 . . . . 0.0 109.228 -178.86 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.779 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 55.51 -172.14 0.06 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.709 1.203 . . . . 0.0 111.97 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 51.93 -176.51 0.02 OUTLIER 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.172 1.389 . . . . 0.0 113.784 -172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.23 -28.29 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.159 1.784 . . . . 0.0 112.406 161.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.58 -8.74 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 48.19 31.86 2.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.532 1.933 . . . . 0.0 114.722 171.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.98 54.39 6.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.249 2.22 . . . . 0.0 109.55 172.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.89 82.98 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 O-C-N 120.514 -1.366 . . . . 0.0 108.713 -169.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -3.93 20.42 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 113.856 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 m 45.72 69.51 0.45 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 125.633 1.833 . . . . 0.0 108.615 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -103.66 152.62 21.57 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.662 2.385 . . . . 0.0 105.861 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 t 52.2 -172.36 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 124.138 1.923 . . . . 0.0 109.365 -153.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.97 -12.2 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 C-N-CA 127.965 2.506 . . . . 0.0 108.067 169.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 HD23 ' A' ' 15' ' ' LEU . 7.4 p -60.72 -27.88 41.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.367 0.531 . . . . 0.0 110.735 -176.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -82.88 -61.8 1.77 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 168.705 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -42.32 73.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -164.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -53.24 -40.13 64.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.495 1.118 . . . . 0.0 111.152 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 22' ' ' LEU . 5.1 t -66.09 -22.63 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.225 1.01 . . . . 0.0 111.363 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.52 -38.62 12.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 121.146 1.794 . . . . 0.0 110.214 175.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.13 -28.31 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.154 1.781 . . . . 0.0 111.51 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.86 -23.77 54.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.734 2.014 . . . . 0.0 109.757 171.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.491 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 1.8 mm? -132.33 11.72 4.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 114.703 -170.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.491 ' HD2' ' C ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 62.85 46.11 5.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.65 1.691 . . . . 0.0 111.202 161.461 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 30' ' ' LEU . 5.7 p -44.05 161.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 111.103 -2.771 . . . . 0.0 111.216 162.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.28 104.2 11.84 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -168.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -57.91 -23.5 53.58 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 m -83.85 8.6 14.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.67 1.588 . . . . 0.0 112.959 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -124.1 153.17 41.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.646 1.566 . . . . 0.0 110.586 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -29.3 10.69 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.352 172.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 24' ' ' VAL . 1.7 tm? -53.6 -45.43 70.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.224 1.009 . . . . 0.0 111.641 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -66.0 -24.26 66.74 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.946 -1.096 . . . . 0.0 112.49 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.69 -35.75 24.26 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.058 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -49.7 -24.04 2.08 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.394 2.277 . . . . 0.0 113.825 -171.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -54.09 2.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.761 0.663 . . . . 0.0 111.192 172.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.54 -44.18 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.961 0.904 . . . . 0.0 112.51 -175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -28.86 27.39 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD13 HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -72.7 -27.15 61.89 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.785 176.211 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -54.72 -60.98 2.62 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.498 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -63.04 -32.78 74.23 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.069 0.849 . . . . 0.0 110.973 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -11.83 19.83 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.67 -46.73 30.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 121.963 2.165 . . . . 0.0 106.127 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -72.35 -23.07 61.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.247 1.819 . . . . 0.0 110.574 -176.437 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.28 11.33 36.88 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 110.298 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 166.67 22.36 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.025 -1.047 . . . . 0.0 111.372 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -81.52 -51.88 7.81 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.875 1.27 . . . . 0.0 111.441 -174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.16 -176.59 2.94 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.717 1.607 . . . . 0.0 108.082 -169.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -73.71 -61.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.603 -0.685 . . . . 0.0 109.189 165.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.437 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 6.8 t -56.72 -43.32 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.178 0.514 . . . . 0.0 110.38 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.08 -15.66 63.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.225 1.01 . . . . 0.0 111.751 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.76 -58.3 3.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.883 0.873 . . . . 0.0 110.101 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 48' ' ' THR . 13.2 p90 -68.22 -29.48 68.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.364 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.58 -24.05 2.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.459 1.504 . . . . 0.0 114.064 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -28.5 13.79 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 111.626 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 ptp -70.28 -35.66 73.88 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.016 -1.677 . . . . 0.0 111.679 172.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.0 m -69.28 -3.73 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 120.665 -1.272 . . . . 0.0 113.668 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -115.87 12.99 15.96 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 131.282 3.833 . . . . 0.0 112.786 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 58' ' ' LEU . 3.1 pp -121.97 -37.51 2.84 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.729 1.212 . . . . 0.0 111.581 169.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.5 pt? -60.14 -31.61 70.25 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 118.945 0.793 . . . . 0.0 111.773 -172.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -69.38 -43.05 74.32 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.03 -37.68 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 128.947 2.899 . . . . 0.0 111.38 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 21.3 mt -70.59 -63.5 1.08 Allowed 'General case' 0 CA--C 1.485 -1.539 0 C-N-CA 127.454 2.302 . . . . 0.0 106.176 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.33 -24.99 21.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.799 1.181 . . . . 0.0 111.537 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -77.3 -0.86 27.04 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.448 ' HE2' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -124.26 -22.71 4.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.684 2.393 . . . . 0.0 111.98 175.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 15.7 pt20 -148.25 -15.34 0.34 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -161.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.61 65.9 3.19 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 120.99 1.723 . . . . 0.0 114.149 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.61 149.03 22.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.65 1.18 . . . . 0.0 110.994 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.69 -50.09 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 112.49 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.99 22.45 1.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.563 1.545 . . . . 0.0 112.04 -163.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -73.09 -11.65 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 O-C-N 120.987 -1.071 . . . . 0.0 112.373 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -94.2 -5.68 46.47 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.99 0.916 . . . . 0.0 112.25 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -56.89 5.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.572 1.533 . . . . 0.0 109.507 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 15' ' ' LEU . 1.2 pt? -51.71 -33.97 36.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 117.884 -1.055 . . . . 0.0 111.918 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.05 -55.6 29.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.367 0.985 . . . . 0.0 110.422 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -73.19 -4.53 33.52 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.031 0.932 . . . . 0.0 111.633 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -96.27 -60.66 1.57 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.227 1.011 . . . . 0.0 109.313 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -64.84 -31.09 72.16 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.723 -1.236 . . . . 0.0 112.655 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.03 -19.61 65.72 Favored 'General case' 0 C--O 1.226 -0.155 0 O-C-N 121.33 -0.856 . . . . 0.0 111.66 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -31.01 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.818 1.247 . . . . 0.0 110.856 -175.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.06 -29.42 69.72 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.705 0.802 . . . . 0.0 110.578 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 -40.39 26.89 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.746 0.703 . . . . 0.0 111.631 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 126.16 1.784 . . . . 0.0 113.443 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -84.05 -9.94 58.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.886 0.874 . . . . 0.0 110.467 -170.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.6 mt -102.26 9.13 40.21 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.938 0.895 . . . . 0.0 110.998 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.168 -1.396 . . . . 0.0 109.303 -175.175 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.43 168.62 21.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m 63.19 -85.09 0.02 OUTLIER 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 110.83 -172.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -148.98 -154.9 0.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.363 0.983 . . . . 0.0 109.255 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.69 128.43 35.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.128 1.371 . . . . 0.0 108.646 165.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -95.49 31.71 1.94 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.457 0.703 . . . . 0.0 112.241 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.438 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 71.16 44.59 0.55 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.421 2.288 . . . . 0.0 111.98 178.227 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.19 59.61 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 120.589 -1.319 . . . . 0.0 113.043 -163.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -120.94 40.37 3.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.84 -1.162 . . . . 0.0 113.737 -167.276 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.27 0.6 OUTLIER 67.34 102.15 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.385 1.874 . . . . 0.0 112.844 169.506 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -83.96 -70.32 0.58 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.604 1.562 . . . . 0.0 109.327 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -139.32 128.5 23.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.654 2.382 . . . . 0.0 106.757 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.4 -21.26 20.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.229 -172.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 14' ' ' VAL . 11.0 t -47.05 -38.44 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 127.048 2.139 . . . . 0.0 111.648 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -89.34 -50.49 6.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 118.35 0.523 . . . . 0.0 110.291 175.455 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.95 -44.13 74.05 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 111.169 -171.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.97 -31.38 71.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 117.849 -1.072 . . . . 0.0 112.367 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.13 -37.96 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 119.63 1.104 . . . . 0.0 109.651 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -51.87 10.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -71.24 -16.15 62.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.273 1.429 . . . . 0.0 112.369 -172.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.35 -23.89 62.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.77 1.628 . . . . 0.0 110.78 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 67' ' ' ALA . 17.2 mt -117.56 -87.22 0.62 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.917 -160.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.92 32.22 0.0 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.301 1.441 . . . . 0.0 112.24 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.27 155.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.691 1.234 . . . . 0.0 111.446 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -106.21 104.3 13.97 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -50.79 13.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.187 0.995 . . . . 0.0 109.024 162.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 60.48 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.649 2.38 . . . . 0.0 112.024 171.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -161.18 167.22 26.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.42 -1.425 . . . . 0.0 109.096 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -26.37 68.41 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 121.67 -0.644 . . . . 0.0 110.796 162.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.92 -55.33 35.9 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.686 -171.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -49.91 -36.96 29.52 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.936 0.789 . . . . 0.0 111.841 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -78.15 -32.34 50.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.075 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -49.98 -36.75 29.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.386 1.075 . . . . 0.0 110.59 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -53.29 7.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.583 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 32' ' ' ALA . 1.3 p -77.15 -4.09 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -32.17 11.52 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 168.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tt -88.63 -29.8 19.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.507 -166.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.16 -48.4 70.93 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 118.939 0.79 . . . . 0.0 110.936 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -62.06 -39.5 92.58 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 123.414 0.685 . . . . 0.0 109.639 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 82.3 m-20 -66.56 -4.36 8.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.213 -173.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.9 mm -78.52 -46.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -73.15 -28.87 62.48 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.673 1.589 . . . . 0.0 110.099 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 15.98 20.42 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.624 1.57 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -178.25 2.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 122.108 0.956 . . . . 0.0 109.962 171.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -76.37 -57.46 3.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.798 -0.564 . . . . 0.0 110.821 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.95 173.38 11.69 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -161.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.556 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 17.4 m -56.76 -56.85 16.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.325 1.05 . . . . 0.0 109.984 -177.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 t -60.36 -54.51 44.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.02 -18.0 63.9 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.711 1.204 . . . . 0.0 111.415 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.91 -61.81 1.7 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.911 0.778 . . . . 0.0 110.038 174.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -72.74 -24.12 60.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.508 -0.745 . . . . 0.0 110.591 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.44 -12.91 6.91 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -99.79 -25.72 14.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.52 -1.228 . . . . 0.0 114.108 168.466 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -68.61 -36.87 79.24 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.722 2.055 . . . . 0.0 111.305 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.28 -30.63 44.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 124.131 0.972 . . . . 0.0 111.002 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.4 m -86.84 7.9 25.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.359 1.864 . . . . 0.0 111.71 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -45.39 3.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.656 1.982 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.56 6.43 0.32 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.778 2.031 . . . . 0.0 114.21 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -126.1 -7.93 6.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.319 1.848 . . . . 0.0 111.56 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.63 -59.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -39.3 70.45 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -167.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 70' ' ' ILE . 3.6 mt -57.29 -36.83 71.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 109.901 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -72.92 18.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.342 1.457 . . . . 0.0 111.337 175.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.67 0.76 1.28 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 119.996 -1.69 . . . . 0.0 113.388 169.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' HD13 ' A' ' 22' ' ' LEU . 21.9 pt20 -151.96 -27.66 0.18 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.318 -166.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.06 57.44 14.78 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 120.9 1.682 . . . . 0.0 111.848 -174.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 22' ' ' LEU . . . -75.4 151.24 38.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 121.939 -0.741 . . . . 0.0 110.327 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -84.13 -49.59 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 123.356 0.41 . . . . 0.0 109.988 167.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.48 19.11 0.64 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -159.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 62' ' ' LEU . 10.7 tp -64.59 -30.56 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 O-C-N 120.577 -1.327 . . . . 0.0 112.141 -172.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -20.77 60.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.388 177.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.66 -53.05 57.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.187 1.358 . . . . 0.0 110.196 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.03 -30.57 71.7 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.979 177.243 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.9 m -62.78 -43.98 97.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.705 0.684 . . . . 0.0 110.571 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.11 -13.43 60.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.637 0.653 . . . . 0.0 112.653 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.22 -72.05 0.32 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 163.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -64.8 -35.61 81.64 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -165.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -38.38 89.91 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.995 1.27 . . . . 0.0 108.588 176.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -34.95 59.67 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.257 0.551 . . . . 0.0 111.957 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.34 -29.11 61.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.32 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.584 ' NH1' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -65.62 -25.96 67.61 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 120.781 -1.2 . . . . 0.0 111.4 168.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . . . -86.49 -0.58 56.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.603 2.361 . . . . 0.0 114.061 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 t -96.93 -27.42 14.66 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.179 1.354 . . . . 0.0 111.186 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.41 -4.0 36.94 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? . . . . . 0 C--O 1.249 1.029 0 CA-C-O 116.669 -1.634 . . . . 0.0 109.809 -176.659 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.963 0 CA-C-O 119.379 -0.678 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 44.92 37.83 2.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.327 1.851 . . . . 0.0 112.6 176.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.0 177.55 8.13 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.691 1.596 . . . . 0.0 107.816 162.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttm 59.51 168.57 0.07 Allowed 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 128.914 2.886 . . . . 0.0 112.305 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.7 ptm -67.87 110.83 4.01 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.031 -2.35 . . . . 0.0 109.193 159.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 8' ' ' VAL . 60.2 m -63.06 176.78 0.68 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 153.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -102.82 76.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 119.632 -1.917 . . . . 0.0 108.905 -150.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 6' ' ' SER . 2.2 t -76.13 25.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 129.153 2.981 . . . . 0.0 115.885 -162.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 10.82 0.82 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 -165.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 16' ' ' LEU 0.313 26.3 p 45.71 65.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 126.234 1.813 . . . . 0.0 113.762 166.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 12' ' ' SER 0.272 9.7 t -123.26 -79.92 0.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.993 -158.046 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.674 ' H ' HG23 ' A' ' 11' ' ' THR . 4.5 m -48.36 106.03 0.09 Allowed 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.212 2.605 . . . . 0.0 109.154 171.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.92 -23.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 120.242 1.383 . . . . 0.0 112.876 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.09 -35.88 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 122.883 0.473 . . . . 0.0 110.555 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -19.82 33.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.505 1.048 . . . . 0.0 110.929 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 10' ' ' CYS . 3.2 mt -99.99 -39.83 7.95 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.588 1.955 . . . . 0.0 112.983 -167.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -56.2 -46.05 79.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.922 1.689 . . . . 0.0 111.402 176.077 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB1' ' A' ' 67' ' ' ALA 0.295 0.0 OUTLIER -44.81 -17.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 120.977 3.695 . . . . 0.0 120.977 160.599 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.6 -50.32 3.04 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -172.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.8 pt20 -65.5 -18.23 65.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.09 0.956 . . . . 0.0 112.077 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -49.84 -33.04 15.68 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.699 1.2 . . . . 0.0 112.79 166.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 21' ' ' GLN . 2.9 mm? -110.8 -85.66 0.55 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.188 -162.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.823 1.649 . . . . 0.0 111.383 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.22 148.51 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 122.163 0.982 . . . . 0.0 110.749 -169.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -108.48 108.5 19.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 p -59.29 -19.73 48.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 122.914 0.486 . . . . 0.0 111.727 166.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -71.48 -3.48 21.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.282 1.433 . . . . 0.0 112.999 171.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -120.56 151.27 39.63 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.214 1.37 . . . . 0.0 108.387 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.62 15.13 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD11 HD23 ' A' ' 61' ' ' LEU . 2.6 tm? -54.16 -49.09 70.08 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.572 1.149 . . . . 0.0 111.647 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -51.67 -49.79 61.68 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.953 1.252 . . . . 0.0 110.897 173.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -69.17 -35.83 76.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.061 -177.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -52.06 -20.93 2.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.814 2.446 . . . . 0.0 112.645 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -86.11 -65.27 1.03 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.177 1.791 . . . . 0.0 111.06 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG13 HG13 ' A' ' 8' ' ' VAL . 9.0 p -63.64 -41.17 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 C-N-CA 123.555 0.742 . . . . 0.0 112.343 -170.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -24.43 66.37 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.567 0.747 . . . . 0.0 109.085 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tt -88.27 -32.16 18.64 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.79 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -54.12 -50.85 65.96 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.739 1.154 . . . . 0.0 111.89 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -64.15 -40.38 96.02 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.764 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.49 -16.88 10.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.377 0.99 . . . . 0.0 112.322 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.96 -58.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 120.03 1.286 . . . . 0.0 107.852 170.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.64 -25.32 67.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.017 0.927 . . . . 0.0 111.14 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.13 12.99 32.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.579 1.552 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 176.16 3.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.92 . . . . 0.0 113.357 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -63.48 -58.27 7.56 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.818 0.847 . . . . 0.0 110.389 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.47 179.23 7.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 126.842 2.057 . . . . 0.0 108.101 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 24.9 m -45.49 -60.01 2.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.967 3.307 . . . . 0.0 110.949 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.7 t -68.88 -41.01 78.91 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -64.47 -20.84 66.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.836 0.855 . . . . 0.0 110.753 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.5 -62.45 1.41 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -71.78 -21.68 61.69 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.718 -176.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -23.94 5.65 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.752 1.221 . . . . 0.0 113.102 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -100.75 -29.45 12.27 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.337 0.655 . . . . 0.0 112.011 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 ptp -67.8 -37.21 81.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.377 1.444 . . . . 0.0 112.054 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.36 -24.33 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.279 0.632 . . . . 0.0 109.741 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m -79.08 -38.77 35.5 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 120.647 -1.283 . . . . 0.0 110.952 172.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -52.88 63.86 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.245 1.418 . . . . 0.0 108.947 -174.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -62.03 -10.77 10.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -171.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.8 t -109.55 -19.92 13.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.462 1.105 . . . . 0.0 110.204 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.03 -48.94 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 120.637 1.562 . . . . 0.0 108.419 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 30' ' ' LEU . 2.4 mt -74.33 -49.42 22.96 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 121.654 -0.654 . . . . 0.0 110.492 -166.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.43 -34.35 75.25 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.454 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t -69.87 2.19 3.67 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.365 0.529 . . . . 0.0 111.937 173.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -22.31 5.11 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.693 1.133 . . . . 0.0 111.644 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -147.95 -4.14 0.49 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 119.222 3.045 . . . . 0.0 119.222 -165.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.14 55.36 24.55 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 121.958 2.163 . . . . 0.0 114.396 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB1' HG12 ' A' ' 18' ' ' VAL . . . -96.84 165.76 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.696 1.198 . . . . 0.0 112.768 177.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -55.5 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -173.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' HB2' HG13 ' A' ' 18' ' ' VAL . 1.3 m-20 -60.24 0.98 0.13 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.07 2.148 . . . . 0.0 115.695 -164.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -65.43 -28.9 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.113 1.365 . . . . 0.0 111.483 -167.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -92.41 0.02 57.4 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.303 1.041 . . . . 0.0 112.362 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -70.92 -58.18 3.85 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 120.304 1.411 . . . . 0.0 107.433 163.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -31.99 71.81 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.999 -167.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.3 p -54.49 -60.07 3.85 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.344 1.429 . . . . 0.0 109.916 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.15 -17.05 63.17 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.75 1.22 . . . . 0.0 111.031 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -79.37 -64.23 1.23 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.431 1.492 . . . . 0.0 109.543 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -69.27 -31.65 70.31 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.962 -1.086 . . . . 0.0 112.676 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.07 -29.78 71.08 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.417 0.687 . . . . 0.0 111.162 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.71 -26.92 18.38 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.015 -0.428 . . . . 0.0 111.236 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.33 -27.01 68.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.763 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' CZ ' HG23 ' A' ' 47' ' ' THR . 6.1 ptt85 -76.04 -40.98 52.21 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.182 1.356 . . . . 0.0 110.85 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.88 62.06 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.633 1.573 . . . . 0.0 113.671 -168.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -62.33 -27.59 69.15 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.0 mt -106.24 11.2 31.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.472 2.309 . . . . 0.0 112.506 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 128.126 2.571 . . . . 0.0 111.051 166.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.591 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -144.64 117.71 8.88 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 64.9 172.72 0.2 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -85.27 -85.27 0.15 Allowed 'General case' 0 C--N 1.339 0.151 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 152.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -23.8 4.71 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.116 0.966 . . . . 0.0 113.033 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m 52.59 172.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.026 1.33 . . . . 0.0 112.537 -164.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -98.26 60.17 1.39 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 123.013 1.387 . . . . 0.0 110.215 -148.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.11 74.85 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -153.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.33 88.69 2.79 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.625 -0.672 . . . . 0.0 110.416 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -60.26 117.15 4.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.9 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 12' ' ' SER 0.302 5.9 t -125.0 -87.07 0.62 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 11' ' ' THR . 53.0 m -70.39 119.54 14.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.709 1.204 . . . . 0.0 109.225 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.57 -17.63 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.275 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -45.89 -43.26 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.181 1.792 . . . . 0.0 111.008 174.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -93.39 -28.59 16.07 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 118.461 -0.781 . . . . 0.0 112.674 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 35' ' ' VAL . 3.4 mm? -78.71 -41.44 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 120.068 1.303 . . . . 0.0 111.72 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.1 t -63.37 -38.69 92.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.475 1.11 . . . . 0.0 108.43 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 69' ' ' ASP . 28.7 m -63.41 -15.92 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 121.172 -0.955 . . . . 0.0 113.304 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.29 -42.73 6.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.884 0.874 . . . . 0.0 109.032 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -64.7 -17.76 64.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.991 1.717 . . . . 0.0 111.421 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.442 HE22 ' CG2' ' A' ' 68' ' ' VAL . 9.1 mt-30 -59.03 -42.74 90.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 109.82 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 65' ' ' GLN . 1.3 mm? -94.67 -86.29 0.29 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -168.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.46 41.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 123.057 1.408 . . . . 0.0 112.502 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 150.26 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 119.54 -1.975 . . . . 0.0 110.915 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -108.78 108.97 19.99 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.287 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -56.16 -46.56 79.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.08 1.752 . . . . 0.0 110.279 165.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -78.09 46.76 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 110.392 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -152.75 157.85 41.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -24.73 60.72 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.731 -0.605 . . . . 0.0 112.31 174.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -51.63 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.083 0.953 . . . . 0.0 111.932 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -60.72 -15.98 34.96 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.7 -29.19 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 117.043 -1.456 . . . . 0.0 113.223 170.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -51.88 -29.14 18.6 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.874 1.67 . . . . 0.0 112.47 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -58.69 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 16' ' ' LEU . 42.9 t -52.16 -48.17 43.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -39.52 55.49 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.797 1.181 . . . . 0.0 110.374 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 57' ' ' LEU . 1.2 tt -67.6 -23.07 65.34 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.508 1.123 . . . . 0.0 110.514 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -56.87 -48.68 77.58 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 120.829 -1.169 . . . . 0.0 110.47 170.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -62.84 -42.46 99.75 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 118.199 0.454 . . . . 0.0 109.808 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -58.15 -19.12 30.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.936 1.294 . . . . 0.0 112.374 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mm -71.28 -44.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.5 mm? -72.12 -27.62 62.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.398 1.479 . . . . 0.0 111.449 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.86 -3.45 58.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.078 0.399 . . . . 0.0 110.413 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.53 158.87 35.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.716 0.769 . . . . 0.0 110.331 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -40.29 83.62 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.558 1.143 . . . . 0.0 111.543 -174.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.22 176.88 9.0 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.614 1.166 . . . . 0.0 108.046 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -55.44 -56.81 15.88 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 123.868 0.867 . . . . 0.0 111.952 170.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -55.75 -47.01 77.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -168.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -75.78 -25.99 56.92 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -61.2 2.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -79.27 -18.58 52.46 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.913 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.92 -48.83 51.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 119.348 0.977 . . . . 0.0 110.484 168.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -29.3 61.57 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.253 -0.904 . . . . 0.0 111.485 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 ptp -67.92 -42.2 81.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.296 1.407 . . . . 0.0 111.729 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.432 ' HA ' HD22 ' A' ' 58' ' ' LEU . 53.3 t -70.68 -6.46 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 120.912 -1.117 . . . . 0.0 110.35 176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 m -93.58 1.5 56.67 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 116.821 -1.562 . . . . 0.0 113.824 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 60' ' ' VAL . 3.1 pp -118.17 -30.86 5.18 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 122.773 2.533 . . . . 0.0 112.569 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -75.35 2.25 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.58 1.552 . . . . 0.0 114.099 -165.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -116.13 -29.45 6.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.725 1.61 . . . . 0.0 109.53 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 57' ' ' LEU . 1.9 t -55.49 -51.91 52.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 124.423 1.089 . . . . 0.0 109.539 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -33.11 61.35 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -168.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.56 -40.14 78.24 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 122.847 0.459 . . . . 0.0 110.211 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -71.04 8.77 0.85 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.584 1.154 . . . . 0.0 111.702 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -3.27 4.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.641 166.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 1.9 pt20 -152.79 -27.66 0.15 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -167.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.02 64.85 3.7 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 120.509 1.504 . . . . 0.0 113.195 -170.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.89 164.09 16.79 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.739 -0.859 . . . . 0.0 112.783 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.648 HG23 ' H ' ' A' ' 69' ' ' ASP . 1.3 m -97.03 -82.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' H ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -65.91 19.92 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 131.108 3.763 . . . . 0.0 113.053 -164.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.52 -27.5 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 O-C-N 120.09 -1.631 . . . . 0.0 111.381 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -75.79 -17.0 60.02 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 123.882 0.873 . . . . 0.0 112.94 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -66.03 -51.08 61.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 119.47 1.032 . . . . 0.0 109.889 -173.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.59 -26.66 65.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.488 177.254 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.9 m -64.18 -18.85 64.88 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.534 1.061 . . . . 0.0 112.337 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -112.31 19.61 17.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.952 2.101 . . . . 0.0 108.405 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.19 -67.42 0.92 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.288 1.435 . . . . 0.0 109.475 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -66.55 -25.16 66.52 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.701 -1.249 . . . . 0.0 112.27 -172.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.17 77.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.202 1.001 . . . . 0.0 110.781 170.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.88 -36.63 49.48 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 110.965 -177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -66.41 -16.86 64.41 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.588 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -32.09 14.22 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.074 0.852 . . . . 0.0 112.088 168.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.88 81.05 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.982 1.313 . . . . 0.0 113.167 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 84' ' ' LEU . 12.1 t -65.22 -21.73 66.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.75 0.82 . . . . 0.0 110.558 -171.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 83' ' ' THR . 4.4 mp -74.94 -5.56 44.49 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.634 1.574 . . . . 0.0 113.315 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.942 1.697 . . . . 0.0 109.894 -167.434 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.532 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -159.37 106.77 1.75 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 59.79 -162.48 0.25 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.227 1.411 . . . . 0.0 111.354 -169.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -53.24 16.87 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.951 1.7 . . . . 0.0 110.237 170.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.9 ptm -158.0 166.55 32.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.053 2.541 . . . . 0.0 107.061 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -126.08 40.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.092 0.957 . . . . 0.0 108.543 163.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 t0 64.64 54.6 1.4 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.05 1.405 . . . . 0.0 108.731 170.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.74 76.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -5.5 27.08 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 52.1 74.95 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 109.336 -172.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.313 0.0 OUTLIER -97.14 -87.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.476 0.71 . . . . 0.0 110.085 -171.134 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.428 ' HB2' HD21 ' A' ' 15' ' ' LEU . 72.2 m -67.86 127.89 34.47 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 123.798 0.839 . . . . 0.0 109.62 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.75 -15.54 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 121.403 -0.811 . . . . 0.0 112.539 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.33 -23.68 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 126.857 2.063 . . . . 0.0 112.004 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 12' ' ' SER . 0.1 OUTLIER -100.64 -48.45 4.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.844 1.257 . . . . 0.0 109.496 177.263 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.95 -33.07 71.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -63.34 -31.68 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.503 1.121 . . . . 0.0 110.784 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.2 t -68.99 -38.7 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.321 1.448 . . . . 0.0 110.45 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -49.14 37.76 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.667 0.667 . . . . 0.0 109.737 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.66 -11.46 60.16 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.756 0.822 . . . . 0.0 112.253 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -15.95 45.44 Favored 'General case' 0 C--N 1.34 0.175 0 O-C-N 121.109 -0.995 . . . . 0.0 112.167 169.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD21 ' HA ' ' A' ' 67' ' ' ALA . 1.5 mm? -119.72 -84.25 0.66 Allowed 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.982 0.81 . . . . 0.0 112.345 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.76 36.39 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.027 1.731 . . . . 0.0 112.255 -165.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.2 156.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.804 0.812 . . . . 0.0 110.086 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -120.37 117.09 26.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 127.924 2.49 . . . . 0.0 106.055 173.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 p -57.82 -40.08 79.17 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 109.904 171.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -75.07 22.53 0.11 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.644 1.978 . . . . 0.0 112.927 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 155.94 49.37 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.874 -1.141 . . . . 0.0 108.626 171.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.42 37.58 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.3 tm? -60.4 -49.26 78.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.416 1.086 . . . . 0.0 111.254 -169.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -48.08 -48.99 33.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.564 0.62 . . . . 0.0 110.494 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.55 73.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.289 -1.338 . . . . 0.0 112.157 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -45.78 -41.99 11.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.808 1.186 . . . . 0.0 110.641 176.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -68.25 -63.16 1.11 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.1 -43.08 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.467 1.107 . . . . 0.0 110.113 -170.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -49.39 59.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.098 0.959 . . . . 0.0 112.231 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 5.0 tt -64.61 -29.93 70.95 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.808 -0.558 . . . . 0.0 109.629 -171.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -52.9 -57.46 10.2 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.225 0.61 . . . . 0.0 112.062 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -30.5 69.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.138 -174.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.4 -1.15 1.56 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.169 1.388 . . . . 0.0 113.447 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.6 mm -82.99 -48.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 CA-C-N 121.311 1.869 . . . . 0.0 106.601 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.34 -18.48 61.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.151 1.381 . . . . 0.0 111.037 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.52 21.61 16.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.893 1.677 . . . . 0.0 109.231 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -93.47 167.18 11.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.384 1.088 . . . . 0.0 111.443 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -71.01 -58.33 3.68 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 126.255 1.822 . . . . 0.0 111.088 -166.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -137.94 173.37 11.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.84 1.656 . . . . 0.0 107.327 -170.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.9 m -61.53 -50.75 71.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.591 0.756 . . . . 0.0 111.908 -173.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -61.84 -47.08 86.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.25 -8.25 58.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.106 0.562 . . . . 0.0 111.631 -168.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' ALA . . . -75.61 -68.81 0.53 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.015 1.326 . . . . 0.0 109.531 164.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -14.39 61.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.719 -168.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -39.06 30.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.398 1.479 . . . . 0.0 112.726 172.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -84.56 -34.3 23.26 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.791 0.723 . . . . 0.0 111.539 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.93 -48.14 73.5 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.165 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.38 -17.46 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -90.18 -32.23 16.71 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 109.257 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -61.2 -52.8 63.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.486 2.314 . . . . 0.0 110.1 178.128 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -3.16 0.77 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -118.31 -26.05 6.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 110.237 -175.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -30.69 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 120.53 -1.356 . . . . 0.0 110.282 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.24 -57.18 8.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.43 -37.01 74.52 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 119.263 -0.399 . . . . 0.0 111.393 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -71.43 2.34 5.09 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.335 1.054 . . . . 0.0 112.148 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -6.75 8.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.992 -1.068 . . . . 0.0 112.53 171.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -160.09 -30.34 0.06 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.2 57.54 8.36 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.281 0.946 . . . . 0.0 115.218 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . -56.76 170.6 0.39 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.503 1.121 . . . . 0.0 113.133 170.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.55 -62.24 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.088 166.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -63.62 17.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 130.826 3.65 . . . . 0.0 115.429 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.3 tp -65.22 -28.88 45.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 120.114 -1.616 . . . . 0.0 112.598 -169.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.87 -16.63 58.12 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.45 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -49.23 64.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.183 1.356 . . . . 0.0 111.062 -170.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -62.62 -22.31 66.31 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.76 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.61 -53.81 20.36 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.488 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.55 -17.75 64.23 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.975 0.807 . . . . 0.0 111.523 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.88 -69.86 0.39 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.68 1.127 . . . . 0.0 108.914 163.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -70.26 -17.83 63.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -56.56 10.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.032 1.287 . . . . 0.0 108.182 168.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -36.94 78.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.861 0.864 . . . . 0.0 110.92 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.33 -12.29 61.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.357 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 -7.33 15.78 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 119.651 1.114 . . . . 0.0 112.785 173.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.57 -17.77 22.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.647 1.579 . . . . 0.0 111.95 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.0 t -85.06 -9.85 57.53 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.016 -1.053 . . . . 0.0 112.363 -166.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 84' ' ' LEU . 2.4 mp -89.5 1.99 55.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.38 2.272 . . . . 0.0 111.403 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.221 -169.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.233 0.204 0 CA-C-O 122.678 1.228 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 33.26 4.48 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.291 1.436 . . . . 0.0 111.283 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HD11 ' A' ' 16' ' ' LEU . 33.7 m 50.01 68.09 0.8 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.534 1.934 . . . . 0.0 111.432 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -71.65 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.542 2.337 . . . . 0.0 111.931 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -128.26 130.41 47.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.203 1.001 . . . . 0.0 109.514 -160.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.53 -23.37 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.841 -0.537 . . . . 0.0 111.995 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.52 -24.52 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 125.838 1.655 . . . . 0.0 111.925 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 HD13 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -85.9 -53.42 5.11 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 119.678 1.126 . . . . 0.0 109.254 170.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 10' ' ' CYS . 9.8 mt -64.69 -42.93 94.96 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 129.571 3.148 . . . . 0.0 111.696 -159.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.1 t -54.26 -50.55 66.97 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.243 1.417 . . . . 0.0 108.394 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.23 -12.74 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 0.0 111.926 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.85 -49.9 5.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.666 -1.272 . . . . 0.0 109.365 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.4 -17.68 64.28 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.342 1.057 . . . . 0.0 111.935 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.3 -19.78 24.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.468 1.907 . . . . 0.0 111.165 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.584 HD23 HE21 ' A' ' 65' ' ' GLN . 1.2 mm? -118.53 -85.26 0.65 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.966 0.907 . . . . 0.0 110.033 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.39 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.742 1.217 . . . . 0.0 112.73 -168.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 p -54.44 150.46 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.911 0.863 . . . . 0.0 109.955 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -116.47 122.02 43.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 p -48.24 -40.93 26.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.097 1.759 . . . . 0.0 111.494 165.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -69.17 -21.4 63.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.604 1.962 . . . . 0.0 112.816 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 m -109.94 132.23 54.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -28.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.611 1.565 . . . . 0.0 114.448 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -44.66 -48.38 10.56 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.369 2.267 . . . . 0.0 112.769 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -51.52 -57.94 7.68 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.011 0.91 . . . . 0.0 109.646 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.05 77.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.88 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -33.25 43.75 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.418 1.087 . . . . 0.0 110.164 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.48 -50.46 6.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.518 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.82 -52.12 18.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 C-N-CA 123.94 0.896 . . . . 0.0 109.973 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -32.98 64.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.081 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' A' ' 53' ' ' LYS . 3.2 tt -68.93 -28.98 67.14 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.273 -0.892 . . . . 0.0 110.126 -169.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -47.55 -58.84 3.76 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 124.528 1.131 . . . . 0.0 110.228 167.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.43 -43.05 93.15 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -65.86 -8.42 21.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.088 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 50' ' ' ALA . 20.8 mm -73.15 -61.22 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.607 1.163 . . . . 0.0 107.887 166.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.74 -24.77 67.03 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.834 -1.166 . . . . 0.0 111.004 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 13.77 30.89 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.164 2.186 . . . . 0.0 110.512 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 168.45 14.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.727 -0.608 . . . . 0.0 110.795 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.64 -48.25 79.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.033 0.933 . . . . 0.0 112.087 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -147.82 -169.03 3.23 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 107.667 -164.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 124.003 0.921 . . . . 0.0 111.232 168.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -58.59 -46.81 86.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.679 0.792 . . . . 0.0 109.762 -166.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -72.87 -11.21 60.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.773 -0.58 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -73.55 -64.44 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 120.972 -1.08 . . . . 0.0 109.652 169.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -23.45 63.96 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.63 -171.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.49 -33.56 21.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 112.646 167.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 37' ' ' LEU . 40.5 mttt -75.13 -44.72 45.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.61 1.096 . . . . 0.0 110.404 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptp -66.54 -37.03 84.12 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.043 -1.036 . . . . 0.0 111.469 -173.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 94.7 t -67.47 -7.34 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 124.154 0.982 . . . . 0.0 110.569 176.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -106.92 11.49 29.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 119.821 -1.8 . . . . 0.0 113.001 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.0 pp -111.96 -40.68 4.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 120.002 1.274 . . . . 0.0 111.314 168.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.05 -32.43 69.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 119.16 -2.212 . . . . 0.0 111.335 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.475 ' H ' HD23 ' A' ' 58' ' ' LEU . 7.0 t -78.63 -35.0 46.09 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 126.511 1.924 . . . . 0.0 108.48 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 57' ' ' LEU . 4.0 p -70.88 -44.28 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 118.574 0.624 . . . . 0.0 109.527 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -67.47 -56.72 8.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.75 -18.59 65.18 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.44 -0.788 . . . . 0.0 112.453 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -70.38 -46.44 64.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.07 43.8 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.463 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.584 HE21 HD23 ' A' ' 22' ' ' LEU . 8.1 pt20 -142.72 -15.25 0.73 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -165.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.86 34.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 120.147 1.34 . . . . 0.0 114.486 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.02 165.44 24.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.826 0.85 . . . . 0.0 111.967 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -107.05 -56.08 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.265 1.026 . . . . 0.0 112.109 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.31 16.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.114 2.966 . . . . 0.0 114.003 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -73.82 -15.7 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 119.341 -2.1 . . . . 0.0 112.321 -167.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -87.21 -16.81 34.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.372 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -53.84 53.31 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.232 0.924 . . . . 0.0 109.854 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -56.36 -43.1 78.81 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.163 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.16 -54.48 46.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.489 0.586 . . . . 0.0 110.83 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.7 -7.13 50.82 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.258 0.349 . . . . 0.0 111.86 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.28 -66.13 0.93 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.014 -1.054 . . . . 0.0 109.188 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -68.79 -25.03 64.49 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.471 -0.768 . . . . 0.0 112.982 -169.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -69.4 -41.62 76.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.004 1.274 . . . . 0.0 110.588 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -71.73 -28.38 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.863 0.865 . . . . 0.0 110.831 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.04 -11.31 58.88 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.384 -0.823 . . . . 0.0 109.59 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -49.32 9.46 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 126.183 1.793 . . . . 0.0 108.642 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.45 75.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.867 0.867 . . . . 0.0 111.48 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.913 1.285 . . . . 0.0 111.709 174.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 122.876 1.322 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -112.29 19.68 17.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.864 1.666 . . . . 0.0 112.686 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.77 145.11 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 128.127 2.571 . . . . 0.0 110.958 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.6 p -114.01 -67.0 1.03 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.751 1.22 . . . . 0.0 108.613 -169.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -148.92 134.95 19.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.439 2.696 . . . . 0.0 105.109 -166.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.06 -19.49 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.952 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.21 -21.39 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.686 1.595 . . . . 0.0 113.877 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -107.25 -45.88 4.01 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.309 1.044 . . . . 0.0 112.706 172.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.05 -39.55 86.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.863 0.756 . . . . 0.0 111.21 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.412 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 t -55.6 -45.52 77.45 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 125.545 1.538 . . . . 0.0 110.164 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.08 -22.5 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 120.747 -1.22 . . . . 0.0 112.044 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -50.23 6.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.834 -1.166 . . . . 0.0 109.124 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.2 pt20 -71.02 -17.11 62.64 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.64 -1.171 . . . . 0.0 112.542 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HG3' HD22 ' A' ' 22' ' ' LEU . 3.0 pt20 -66.95 -11.26 56.01 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.378 1.445 . . . . 0.0 111.226 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.696 HD23 HE21 ' A' ' 65' ' ' GLN . 2.7 mm? -113.79 -85.89 0.59 Allowed 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.98 1.312 . . . . 0.0 110.116 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.01 25.41 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.233 1.413 . . . . 0.0 113.189 -166.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.08 159.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.07 0.948 . . . . 0.0 111.482 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -120.19 118.64 31.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.172 1.389 . . . . 0.0 108.631 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -68.7 -23.4 64.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.132 -0.355 . . . . 0.0 111.491 169.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 2.02 3.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.595 1.158 . . . . 0.0 113.498 172.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 m -121.51 160.99 23.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 109.862 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -23.9 61.29 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 176.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.713 HD11 HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -58.19 -50.65 72.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.362 0.665 . . . . 0.0 110.533 -164.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -48.02 -42.34 27.88 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.827 1.251 . . . . 0.0 111.847 170.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 -31.69 48.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.575 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -45.12 -37.47 4.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.224 1.374 . . . . 0.0 111.798 168.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.01 -62.37 1.72 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.189 0.306 . . . . 0.0 110.396 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.11 -42.26 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -167.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -27.12 62.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.417 1.008 . . . . 0.0 112.157 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -89.11 -14.43 36.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.371 -0.831 . . . . 0.0 110.952 -174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CD2' HD22 ' A' ' 15' ' ' LEU . 40.9 t-80 -64.07 -55.42 22.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.2 0.909 . . . . 0.0 109.622 174.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.93 -38.28 87.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.646 -0.692 . . . . 0.0 111.205 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -14.44 50.46 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.036 0.834 . . . . 0.0 112.749 -176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.71 -57.98 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 172.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.11 -40.82 86.95 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.3 13.58 6.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.92 2.088 . . . . 0.0 110.644 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 177.2 1.54 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.019 1.327 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.16 -48.49 15.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.658 1.183 . . . . 0.0 112.021 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.5 168.33 19.87 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.411 1.084 . . . . 0.0 108.198 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.5 m -59.76 -50.12 75.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.965 0.506 . . . . 0.0 111.34 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -61.22 -43.32 99.06 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.57 -15.71 61.75 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.638 -0.664 . . . . 0.0 112.068 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.68 75.29 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 119.227 0.921 . . . . 0.0 110.215 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -96.56 -26.1 15.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.356 -169.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.88 -36.16 58.85 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.838 0.745 . . . . 0.0 110.474 170.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.82 56.5 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.735 -1.228 . . . . 0.0 113.397 176.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.15 -39.5 82.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.92 1.691 . . . . 0.0 110.409 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.16 -7.22 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.395 1.078 . . . . 0.0 110.871 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -108.2 10.72 27.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 126.045 1.738 . . . . 0.0 112.535 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.91 -48.37 2.84 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.491 1.496 . . . . 0.0 109.441 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -54.85 -35.42 63.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.885 1.674 . . . . 0.0 112.55 -160.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -77.56 -27.88 51.64 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.786 1.234 . . . . 0.0 109.597 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.71 -44.5 81.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 CA-C-N 119.075 0.852 . . . . 0.0 108.776 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.27 -50.43 65.77 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.42 -37.49 86.02 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.909 -0.495 . . . . 0.0 111.69 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -63.33 -8.02 7.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 127.94 2.496 . . . . 0.0 111.979 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -12.29 5.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.701 1.2 . . . . 0.0 113.811 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.696 HE21 HD23 ' A' ' 22' ' ' LEU . 7.1 pt20 -150.57 -10.56 0.25 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.3 46.74 43.96 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.827 1.203 . . . . 0.0 112.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.0 176.13 0.76 Allowed 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.395 1.078 . . . . 0.0 111.508 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 p -117.38 -50.85 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 C-N-CA 123.326 0.65 . . . . 0.0 110.091 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -81.97 14.75 2.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.22 -1.392 . . . . 0.0 109.642 -157.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.15 -19.94 25.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 120.871 -1.143 . . . . 0.0 111.225 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -76.4 -25.19 54.27 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 123.162 0.585 . . . . 0.0 111.443 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -67.0 -52.4 43.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.528 0.604 . . . . 0.0 110.323 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.7 OUTLIER -54.79 -37.44 66.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.38 173.7 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.8 m -59.39 -48.12 82.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 119.677 1.126 . . . . 0.0 110.676 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.54 -45.44 94.17 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 124.141 0.901 . . . . 0.0 109.27 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.73 -55.02 38.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.795 0.438 . . . . 0.0 110.69 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.415 ' CE ' HD12 ' A' ' 73' ' ' LEU . 13.2 ptt? -72.07 -22.24 61.39 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.587 0.63 . . . . 0.0 112.38 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.64 -53.44 41.45 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.532 1.06 . . . . 0.0 110.38 166.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.24 -21.59 61.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.429 -0.794 . . . . 0.0 110.649 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.42 -28.0 65.76 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.891 -1.131 . . . . 0.0 111.488 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -32.41 17.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 120.337 1.426 . . . . 0.0 111.095 174.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -28.61 69.12 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.539 0.524 0 C-N-CA 124.085 0.954 . . . . 0.0 110.991 -178.07 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 122.616 1.198 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.89 17.33 9.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.622 1.169 . . . . 0.0 113.608 -175.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t 52.2 88.59 0.03 OUTLIER 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.0 1.72 . . . . 0.0 110.362 -170.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -97.44 150.23 21.27 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 161.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m 44.07 99.08 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.417 3.087 . . . . 0.0 113.823 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.57 -17.02 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 119.867 -1.771 . . . . 0.0 114.16 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.68 -45.65 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.894 1.278 . . . . 0.0 109.451 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -85.09 -40.18 17.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 118.488 0.585 . . . . 0.0 112.181 -178.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.46 -31.32 71.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.741 0.7 . . . . 0.0 111.993 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -54.65 -42.6 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.67 1.588 . . . . 0.0 109.502 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.12 -16.7 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.605 0.762 . . . . 0.0 112.216 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -96.21 -48.27 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 120.636 -1.29 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -69.08 -14.21 62.89 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.897 0.879 . . . . 0.0 111.651 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 22' ' ' LEU . 5.0 mt-30 -50.32 -34.37 23.43 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.781 1.232 . . . . 0.0 110.709 165.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 HE21 ' A' ' 65' ' ' GLN . 2.8 mm? -110.31 -85.68 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -162.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.97 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.675 0.79 . . . . 0.0 112.455 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.67 141.03 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 124.059 0.944 . . . . 0.0 109.744 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.65 125.83 47.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.448 -2.427 . . . . 0.0 104.448 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 p -58.94 -29.27 66.99 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.27 0.941 . . . . 0.0 110.928 172.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -62.3 -31.14 71.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.132 0.973 . . . . 0.0 111.041 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -69.11 138.44 54.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -23.93 2.9 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.129 0.966 . . . . 0.0 111.74 169.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -53.78 -41.54 67.33 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 126.716 2.006 . . . . 0.0 112.595 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -55.73 -55.89 26.98 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.409 0.55 . . . . 0.0 109.844 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.52 90.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.568 1.147 . . . . 0.0 112.064 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -36.05 30.05 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.443 1.497 . . . . 0.0 111.477 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.4 t -79.76 -58.5 3.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.91 -42.42 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.74 0.816 . . . . 0.0 110.42 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -42.87 84.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.556 0.616 . . . . 0.0 112.082 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -74.56 -14.01 60.74 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.506 1.123 . . . . 0.0 110.881 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.433 ' CD2' HD22 ' A' ' 15' ' ' LEU . 56.0 t-80 -60.84 -49.45 77.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.252 0.621 . . . . 0.0 110.082 170.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -60.97 -37.94 84.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -24.94 31.25 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.341 1.056 . . . . 0.0 111.916 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.475 HG23 ' HB1' ' A' ' 50' ' ' ALA . 11.5 mm -76.65 -49.49 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.181 1.392 . . . . 0.0 109.301 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.31 -40.47 77.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 120.39 -1.444 . . . . 0.0 109.001 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.48 5.96 9.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.602 1.161 . . . . 0.0 111.007 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.79 162.37 16.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 122.455 1.122 . . . . 0.0 112.914 -173.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.12 -58.47 8.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.767 1.627 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.33 179.91 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 125.662 1.585 . . . . 0.0 106.949 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -59.28 -56.63 19.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 111.918 165.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -52.79 60.01 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.19 -0.35 11.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.994 0.517 . . . . 0.0 111.582 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -79.62 -70.16 0.53 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.604 -1.31 . . . . 0.0 108.858 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -66.88 -25.24 66.3 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 111.188 -170.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.77 -36.8 27.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.208 1.003 . . . . 0.0 112.054 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -87.95 -28.63 21.36 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.91 -1.118 . . . . 0.0 111.802 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 ptp -67.08 -37.62 84.29 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.551 1.523 . . . . 0.0 111.13 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -11.51 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.516 1.526 . . . . 0.0 110.742 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -92.64 -5.95 50.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.941 0.896 . . . . 0.0 112.704 172.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -107.7 -48.05 3.49 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 120.247 -1.533 . . . . 0.0 109.002 -169.181 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.12 7.61 0.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.885 2.074 . . . . 0.0 114.89 -171.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -112.7 -37.98 4.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.499 1.92 . . . . 0.0 111.706 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.78 -23.03 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 119.339 0.972 . . . . 0.0 111.92 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 HD11 ' A' ' 30' ' ' LEU . 3.2 mm? -66.97 -58.23 5.35 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 168.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.12 -32.91 70.26 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.126 0.971 . . . . 0.0 113.484 -164.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -70.71 -26.0 63.21 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -24.33 19.4 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.837 -1.165 . . . . 0.0 112.543 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.586 HE21 HD23 ' A' ' 22' ' ' LEU . 9.3 pt20 -142.13 -19.38 0.72 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -168.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 53.26 30.19 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 120.091 1.314 . . . . 0.0 113.562 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.28 173.17 11.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 117.698 0.749 . . . . 0.0 112.022 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 m -126.26 -41.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.35 16.95 0.9 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.097 -1.627 . . . . 0.0 112.44 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -66.39 -22.82 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 120.322 -1.486 . . . . 0.0 112.011 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -82.77 -14.67 54.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.368 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 -53.84 27.38 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 119.556 1.071 . . . . 0.0 109.717 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -27.1 65.71 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.404 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.2 m -56.25 -56.16 24.4 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 119.176 0.898 . . . . 0.0 109.791 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -74.64 -3.64 32.47 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.283 1.833 . . . . 0.0 111.189 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -71.89 0.53 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 170.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -65.03 -24.28 67.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -172.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.41 -52.1 17.47 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 119.738 1.154 . . . . 0.0 109.407 172.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.3 -29.09 69.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.975 0.893 . . . . 0.0 110.69 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -68.55 -27.26 65.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.898 -1.126 . . . . 0.0 111.612 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.25 -29.68 22.92 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 111.52 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.33 62.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.072 0.949 . . . . 0.0 113.462 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.223 -0.306 0 O-C-N 120.535 -1.353 . . . . 0.0 110.3 -178.733 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 36' ' ' GLN . 13.2 m . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 123.124 1.44 . . . . 0.0 113.064 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.78 2.05 25.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 67.17 157.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.187 2.995 . . . . 0.0 112.366 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -87.67 0.07 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -75.12 130.65 39.61 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.33 -19.52 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.308 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -45.02 -47.62 2.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 124.967 1.307 . . . . 0.0 109.529 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.596 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -75.83 -40.41 54.91 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 123.7 0.8 . . . . 0.0 111.972 -174.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -69.63 -36.44 76.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.956 0.502 . . . . 0.0 111.138 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.609 1.164 . . . . 0.0 110.157 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -52.19 -36.53 20.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 123.597 0.759 . . . . 0.0 111.038 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.29 -48.52 8.44 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 123.35 0.66 . . . . 0.0 110.363 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.37 -11.07 59.97 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.246 0.967 . . . . 0.0 111.657 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.57 ' OE1' HG22 ' A' ' 68' ' ' VAL . 20.2 tt0 -62.35 -23.21 66.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.693 -1.255 . . . . 0.0 109.98 164.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.43 -73.38 0.65 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.829 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.98 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.178 1.391 . . . . 0.0 113.476 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.301 7.5 p 42.02 129.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 130.818 3.647 . . . . 0.0 116.153 174.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -93.57 100.51 12.76 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.995 -1.69 . . . . 0.0 108.341 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -55.67 -37.81 68.78 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.218 1.007 . . . . 0.0 110.278 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 m -79.86 46.56 0.79 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.086 1.754 . . . . 0.0 111.248 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 t -154.52 159.57 41.03 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.448 1.899 . . . . 0.0 106.942 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -20.72 57.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 162.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -53.3 -58.31 7.51 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.035 0.934 . . . . 0.0 112.003 -172.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -45.62 -44.92 13.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.706 0.685 . . . . 0.0 111.829 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.0 66.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.049 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -47.04 -43.85 20.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.517 1.527 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.47 -55.38 5.74 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.377 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -57.97 -39.96 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 O-C-N 123.91 0.756 . . . . 0.0 110.861 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.553 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -75.21 -44.16 47.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 122.712 0.405 . . . . 0.0 111.588 -176.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 41' ' ' ILE . 4.8 tt -74.82 -26.63 59.85 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.608 -0.682 . . . . 0.0 109.679 -171.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -48.1 -55.73 9.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.284 1.034 . . . . 0.0 109.937 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -39.47 92.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.35 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.9 -18.99 48.98 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.562 -1.208 . . . . 0.0 111.741 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 37' ' ' LEU . 6.8 mm -60.58 -62.38 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 120.131 1.332 . . . . 0.0 108.496 170.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.52 -35.9 82.46 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.632 1.206 . . . . 0.0 108.492 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.01 9.93 9.1 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.84 2.056 . . . . 0.0 110.73 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.43 -177.97 1.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.225 1.012 . . . . 0.0 111.16 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -87.12 -52.53 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.602 0.761 . . . . 0.0 110.636 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.09 173.25 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -171.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -50.46 73.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.931 0.892 . . . . 0.0 111.343 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -60.72 -49.59 76.88 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.72 -38.16 80.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.34 0.656 . . . . 0.0 110.451 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.09 84.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.635 0.774 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.46 -21.18 16.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 119.225 0.92 . . . . 0.0 111.494 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.12 -49.96 30.25 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.08 0.952 . . . . 0.0 108.48 168.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -70.19 -33.22 71.45 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.356 -1.307 . . . . 0.0 113.326 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -66.82 -40.24 87.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 121.163 1.801 . . . . 0.0 110.278 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.68 -22.39 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -81.96 -8.01 59.65 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.283 -1.511 . . . . 0.0 113.236 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -57.01 3.06 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 120.232 1.378 . . . . 0.0 111.38 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -44.62 -47.82 10.44 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.476 1.51 . . . . 0.0 113.698 -162.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.514 ' H ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.95 -28.91 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.926 2.49 . . . . 0.0 109.61 -170.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.02 -52.17 59.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -76.85 -39.36 51.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.833 -171.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 70' ' ' ILE . 3.4 mt -60.44 -41.41 94.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 119.127 0.876 . . . . 0.0 109.595 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -75.13 6.56 4.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.684 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.27 -5.49 8.86 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.947 1.249 . . . . 0.0 112.85 168.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.43 -33.95 0.26 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -164.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 32.62 56.94 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 120.281 1.4 . . . . 0.0 114.534 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.22 146.37 53.54 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.78 1.29 . . . . 0.0 112.514 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.57 HG22 ' OE1' ' A' ' 21' ' ' GLN . 16.9 m -85.29 -55.26 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.772 0.829 . . . . 0.0 109.937 174.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -83.03 21.25 1.08 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.725 1.61 . . . . 0.0 112.632 -158.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 62' ' ' LEU . 8.2 tp -66.14 -15.15 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 120.786 -1.197 . . . . 0.0 112.638 -168.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -94.28 -13.25 26.7 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.028 1.731 . . . . 0.0 111.716 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -50.49 32.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.764 0.711 . . . . 0.0 110.386 -167.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -61.55 -33.85 74.56 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.489 0.493 . . . . 0.0 110.602 172.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.33 -49.07 79.06 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.273 0.942 . . . . 0.0 108.911 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.52 -9.0 30.31 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.185 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.262 3.1 pt-20 -88.58 -63.78 1.24 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 120.779 1.627 . . . . 0.0 108.894 166.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -67.08 -21.39 65.88 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.643 1.177 . . . . 0.0 113.065 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.21 -24.91 61.47 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.935 -0.478 . . . . 0.0 110.721 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.8 -30.56 11.63 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 123.368 0.667 . . . . 0.0 112.249 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.08 -15.81 57.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.716 -0.615 . . . . 0.0 111.634 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -30.71 16.03 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.0 112.795 167.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.48 -23.87 56.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.326 1.45 . . . . 0.0 111.317 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.468 0.433 0 C-N-CA 126.343 1.857 . . . . 0.0 111.402 179.01 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 122.419 1.104 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 38.53 0.89 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.8 -1.188 . . . . 0.0 110.484 -169.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' HD21 ' A' ' 16' ' ' LEU . 5.6 m 55.68 -66.35 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 128.972 2.909 . . . . 0.0 113.068 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.271 3.2 p 75.55 -164.96 0.07 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 128.098 2.559 . . . . 0.0 110.66 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -43.44 112.76 0.41 Allowed 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 130.244 3.418 . . . . 0.0 109.942 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 m -51.92 -17.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 124.757 1.223 . . . . 0.0 113.969 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.65 -47.59 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.49 1.516 . . . . 0.0 109.89 172.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -82.84 -44.28 15.65 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.478 HD21 ' O ' ' A' ' 10' ' ' CYS . 4.1 mm? -56.74 -43.54 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.859 -0.526 . . . . 0.0 110.536 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -58.88 -26.41 64.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.395 1.078 . . . . 0.0 111.898 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.32 -39.22 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 119.981 1.264 . . . . 0.0 109.905 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -40.65 17.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.044 0.838 . . . . 0.0 109.906 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.85 -15.21 63.44 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.51 1.524 . . . . 0.0 111.859 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.07 -37.05 68.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 109.531 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 67' ' ' ALA . 3.0 mm? -96.09 -86.19 0.32 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -168.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 175.26 27.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.704 1.602 . . . . 0.0 112.224 -166.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.32 148.2 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.377 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -97.1 112.5 24.25 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -49.77 -42.52 46.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.766 1.626 . . . . 0.0 109.704 166.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.5 p -80.05 39.5 0.44 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.961 -1.087 . . . . 0.0 112.345 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -138.82 151.45 47.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 162.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.28 7.53 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 61' ' ' LEU . 1.7 tm? -54.81 -42.43 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.799 0.727 . . . . 0.0 110.977 -172.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -54.3 -47.79 72.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.451 0.701 . . . . 0.0 111.765 170.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -36.78 52.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 -168.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -43.67 -45.06 6.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.733 1.213 . . . . 0.0 111.3 171.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.8 -49.78 35.63 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.114 -171.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.65 -39.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.7 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.402 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.0 -43.84 64.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.542 1.064 . . . . 0.0 109.729 -173.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' HE21 ' A' ' 36' ' ' GLN . 0.8 OUTLIER -59.65 -31.71 69.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.02 0.928 . . . . 0.0 111.176 -178.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -56.43 -49.38 74.74 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.043 0.937 . . . . 0.0 110.681 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -58.47 -45.84 87.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.5 -5.18 18.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.188 1.395 . . . . 0.0 112.621 -165.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.09 -48.29 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.731 2.012 . . . . 0.0 108.683 168.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.0 mt -72.79 -24.39 60.92 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.372 1.069 . . . . 0.0 111.202 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -91.48 1.98 56.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.769 0.828 . . . . 0.0 111.401 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.77 178.89 2.4 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.966 0.906 . . . . 0.0 113.397 -166.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.36 -86.12 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 170.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -105.07 179.29 4.31 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 125.038 1.335 . . . . 0.0 108.749 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.7 m -58.51 -58.87 6.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.729 0.411 . . . . 0.0 110.72 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 t -55.94 -47.85 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.86 0.864 . . . . 0.0 108.849 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.11 -19.17 61.84 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.621 0.769 . . . . 0.0 111.09 -175.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.93 -69.76 0.26 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 167.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -71.85 -21.31 61.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.844 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.91 -38.32 35.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.716 1.144 . . . . 0.0 112.196 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -82.52 -27.79 31.5 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.021 -1.049 . . . . 0.0 113.235 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.82 -37.87 87.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.611 1.551 . . . . 0.0 110.124 171.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.72 -27.46 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 109.672 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -1.76 24.18 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 171.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 58' ' ' LEU 0.292 0.2 OUTLIER -115.12 -25.6 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 168.22 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.66 3.03 0.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 O-C-N 119.597 -1.94 . . . . 0.0 115.499 -174.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -123.66 -51.57 1.82 Allowed 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 126.394 1.878 . . . . 0.0 108.255 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.39 -32.56 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.382 1.873 . . . . 0.0 113.098 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.3 mt -90.49 -43.02 10.52 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 125.738 1.615 . . . . 0.0 110.121 -176.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HG21 ' A' ' 70' ' ' ILE . 4.2 mt -65.53 -35.25 80.32 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 19.11 0.87 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.935 1.294 . . . . 0.0 110.54 173.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -23.47 4.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.09 -1.631 . . . . 0.0 112.383 162.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.22 -25.46 0.85 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 119.146 3.017 . . . . 0.0 119.146 -162.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.46 53.26 5.17 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.24 1.382 . . . . 0.0 114.502 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -96.04 170.87 8.98 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.582 1.691 . . . . 0.0 111.727 174.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.23 -36.26 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.22 1.008 . . . . 0.0 113.483 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -76.61 15.74 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.81 -1.182 . . . . 0.0 112.728 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 62' ' ' LEU . 8.5 tp -63.65 -29.49 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 124.992 1.317 . . . . 0.0 111.12 -168.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -90.01 -6.96 55.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.392 1.077 . . . . 0.0 112.569 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -59.02 3.52 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.072 1.305 . . . . 0.0 109.739 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -60.3 -22.51 63.25 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.774 -177.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.6 m -58.2 -57.58 12.25 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.077 0.853 . . . . 0.0 109.48 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.41 -19.22 65.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.252 1.021 . . . . 0.0 112.204 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -68.53 0.45 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.764 0.826 . . . . 0.0 109.978 169.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.408 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.0 ptt? -75.61 -18.62 59.65 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -163.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -52.23 50.6 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 119.137 0.88 . . . . 0.0 108.955 162.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.22 -39.41 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.292 0.568 . . . . 0.0 111.007 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.85 -18.84 64.55 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 117.387 -1.292 . . . . 0.0 111.844 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -42.34 11.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 121.051 1.751 . . . . 0.0 111.073 166.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.55 73.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.323 1.449 . . . . 0.0 112.456 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.035 -170.684 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 1.84 18.09 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 50.95 177.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 129.268 3.027 . . . . 0.0 113.025 -171.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t 177.81 170.34 0.67 Allowed 'General case' 0 C--O 1.239 0.512 0 C-N-CA 129.084 2.954 . . . . 0.0 107.018 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m 43.83 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.655 2.382 . . . . 0.0 113.493 160.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.46 -22.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 116.591 -1.671 . . . . 0.0 114.912 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.02 -39.61 3.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 120.381 1.446 . . . . 0.0 111.787 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.29 4.29 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.961 1.255 . . . . 0.0 110.338 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.5 -38.77 88.54 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.323 -0.86 . . . . 0.0 113.0 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.74 -37.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.636 1.574 . . . . 0.0 111.123 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.27 -38.75 63.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 119.934 1.243 . . . . 0.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.72 -46.02 10.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.996 0.817 . . . . 0.0 110.535 -171.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.06 -24.58 67.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.3 tt0 -51.62 -29.28 17.03 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.098 1.359 . . . . 0.0 111.004 172.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.743 HD23 HE21 ' A' ' 65' ' ' GLN . 2.5 mm? -102.92 -87.73 0.41 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.129 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.9 25.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.377 0.99 . . . . 0.0 112.716 -166.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.48 155.23 4.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 125.769 1.628 . . . . 0.0 112.367 -170.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -118.47 109.5 16.3 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.187 1.395 . . . . 0.0 109.26 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -56.13 -31.99 63.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.935 0.894 . . . . 0.0 111.091 166.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -71.77 15.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.759 2.024 . . . . 0.0 113.305 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -137.73 160.98 37.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 120.163 1.347 . . . . 0.0 109.031 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -26.63 58.86 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 173.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.27 -43.07 87.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.048 0.539 . . . . 0.0 111.754 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.6 t90 -55.62 -38.2 69.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.931 0.787 . . . . 0.0 111.171 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -26.1 48.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 112.158 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -55.93 -21.84 22.84 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.445 1.098 . . . . 0.0 112.444 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -33.5 7.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.711 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.25 -72.91 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 119.122 0.874 . . . . 0.0 109.622 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.97 70.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.882 1.219 . . . . 0.0 110.799 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 HD23 ' A' ' 57' ' ' LEU . 7.3 tp -77.01 -8.67 57.82 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.298 -174.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -79.5 -46.23 17.81 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.212 0.914 . . . . 0.0 110.005 164.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -63.58 -44.44 94.06 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.89 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.04 -29.74 45.13 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.497 1.519 . . . . 0.0 111.23 -170.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.7 mm -57.07 -63.81 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 128.723 2.809 . . . . 0.0 110.375 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.3 -3.96 30.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.016 0.926 . . . . 0.0 110.642 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.52 3.76 11.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 129.169 2.988 . . . . 0.0 110.426 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 178.64 3.0 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.264 1.026 . . . . 0.0 111.874 -170.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -64.82 -70.19 0.24 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -133.76 171.58 13.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 m -49.82 -54.77 17.27 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.384 1.473 . . . . 0.0 111.937 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -65.2 -40.06 93.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -168.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.56 -21.2 49.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -69.48 0.26 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.681 1.192 . . . . 0.0 109.535 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -19.66 63.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.046 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -30.56 5.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.55 1.94 . . . . 0.0 114.82 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -26.7 16.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.845 0.748 . . . . 0.0 112.743 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 ttm -60.14 -52.62 64.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.972 1.309 . . . . 0.0 110.419 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.81 -11.0 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 120.952 -1.093 . . . . 0.0 113.793 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -108.11 9.16 28.35 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.34 1.856 . . . . 0.0 111.354 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.9 pp -115.25 -42.39 3.18 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.21 1.368 . . . . 0.0 110.282 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.36 -30.99 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 119.218 0.917 . . . . 0.0 111.902 -170.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 58' ' ' LEU . 28.9 t -74.18 -38.82 63.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 108.463 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.39 -50.07 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.036 1.734 . . . . 0.0 109.177 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.21 -59.17 5.83 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.058 0.943 . . . . 0.0 108.799 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 67' ' ' ALA . 8.1 mp -65.35 -29.45 70.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.392 -0.814 . . . . 0.0 110.896 -171.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.1 t -77.13 13.98 1.0 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.081 0.855 . . . . 0.0 112.117 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -18.16 2.81 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.6 1.091 . . . . 0.0 112.931 169.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.743 HE21 HD23 ' A' ' 22' ' ' LEU 0.252 6.8 pt20 -128.57 -70.98 0.66 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.496 -172.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.58 49.95 0.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -165.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -82.09 165.34 20.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.08 -39.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 123.742 0.817 . . . . 0.0 112.068 -176.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -79.43 11.54 2.94 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.779 -0.575 . . . . 0.0 111.572 -171.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.8 tp -66.16 -20.33 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.82 1.248 . . . . 0.0 111.633 -173.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.52 -13.2 46.65 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 112.28 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -68.78 -61.53 1.77 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 120.426 1.466 . . . . 0.0 110.291 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.61 ' H ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.82 -29.06 64.63 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.085 -176.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.34 -50.79 71.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.55 -9.64 58.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.256 1.022 . . . . 0.0 111.353 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -72.85 0.2 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.671 -1.268 . . . . 0.0 107.974 156.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -61.43 -28.87 69.57 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.78 -54.71 17.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 119.949 1.25 . . . . 0.0 111.0 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.11 -32.99 74.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.272 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.41 -23.88 67.59 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -91.41 -31.08 16.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.201 1.364 . . . . 0.0 111.182 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.6 -31.2 70.21 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.033 1.333 . . . . 0.0 110.275 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.923 1.689 . . . . 0.0 111.308 179.052 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 123.634 1.683 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 pttt -95.83 89.96 5.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 126.865 2.066 . . . . 0.0 110.506 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 16' ' ' LEU . 18.7 p -64.65 130.37 43.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.431 1.11 . . . . 0.0 111.436 -173.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -142.68 166.08 25.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 127.573 2.349 . . . . 0.0 106.3 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m 44.45 107.56 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.03 2.532 . . . . 0.0 115.521 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.78 -20.73 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 119.906 -1.746 . . . . 0.0 113.248 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -37.88 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.39 1.076 . . . . 0.0 111.846 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.49 -54.09 5.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 120.06 1.3 . . . . 0.0 108.787 176.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 10' ' ' CYS . 6.1 mt -68.46 -39.54 81.38 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.462 1.905 . . . . 0.0 112.172 -158.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 t -55.05 -48.5 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 125.696 1.598 . . . . 0.0 109.462 172.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 HD12 ' A' ' 70' ' ' ILE . 94.7 t -59.97 -23.26 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.282 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -87.85 -48.72 7.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.336 1.426 . . . . 0.0 110.309 178.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.6 -17.99 62.89 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.994 0.918 . . . . 0.0 112.871 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -58.51 -23.52 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.468 1.507 . . . . 0.0 111.291 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.698 HD23 HE21 ' A' ' 65' ' ' GLN . 1.9 mm? -108.61 -80.84 0.57 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.905 0.775 . . . . 0.0 109.804 -173.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.9 26.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.545 1.938 . . . . 0.0 112.446 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.56 153.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-O 122.522 1.153 . . . . 0.0 110.85 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -108.68 112.24 24.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -60.06 -30.73 69.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.83 0.452 . . . . 0.0 110.165 170.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 t -70.91 23.49 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.891 1.676 . . . . 0.0 112.899 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -133.13 157.18 45.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 120.479 1.49 . . . . 0.0 109.188 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -20.34 48.47 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.608 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 61' ' ' LEU . 1.9 tm? -58.42 -52.76 64.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 118.267 0.485 . . . . 0.0 110.925 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -54.36 -35.94 63.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.602 -0.686 . . . . 0.0 111.215 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 -31.44 45.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.8 -49.1 49.98 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 125.792 1.637 . . . . 0.0 108.494 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.22 -42.67 54.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.037 -172.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.58 -59.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.22 1.408 . . . . 0.0 109.99 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -44.42 82.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.349 0.977 . . . . 0.0 111.326 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.64 -27.86 66.38 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.38 -0.825 . . . . 0.0 110.962 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.616 ' CD2' HD11 ' A' ' 15' ' ' LEU . 56.3 t-80 -57.22 -49.01 77.35 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.356 0.98 . . . . 0.0 111.177 171.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.35 -49.14 77.09 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -61.46 -16.73 49.87 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 117.726 -1.13 . . . . 0.0 112.401 -170.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 ' HG3' ' A' ' 77' ' ' MET . 9.0 mm -64.67 -68.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 170.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.36 -26.42 67.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.968 0.907 . . . . 0.0 109.621 -171.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.99 -0.65 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.941 1.296 . . . . 0.0 110.956 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 170.25 0.63 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.661 0.784 . . . . 0.0 110.883 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -66.96 0.5 Allowed 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 172.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -125.0 170.54 11.03 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.596 1.189 . . . . 0.0 110.45 -165.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.0 m -50.11 -53.03 30.16 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.014 2.126 . . . . 0.0 112.209 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -62.45 -46.15 89.84 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 119.25 -0.98 . . . . 0.0 108.572 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.24 -26.25 62.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.86 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.82 83.01 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.626 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -102.91 -23.35 13.74 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.06 -23.68 21.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.747 1.219 . . . . 0.0 113.075 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -34.71 15.76 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 117.659 -1.162 . . . . 0.0 112.952 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptp -65.11 -38.57 91.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.0 1.727 . . . . 0.0 111.42 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 58' ' ' LEU . 26.8 m -64.61 -19.88 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 122.183 0.992 . . . . 0.0 112.716 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.2 m -101.38 16.19 26.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.132 2.573 . . . . 0.0 110.606 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.32 -59.45 1.64 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -64.04 7.44 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.859 2.464 . . . . 0.0 116.569 -167.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -134.92 -19.35 1.78 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.456 2.302 . . . . 0.0 111.064 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 57' ' ' LEU . 8.2 p -70.86 -39.71 75.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 119.998 -1.689 . . . . 0.0 109.279 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 30' ' ' LEU . 1.4 mt -72.07 -42.16 66.56 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.079 0.952 . . . . 0.0 109.274 -172.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.36 -34.47 66.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 14.66 1.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.804 0.841 . . . . 0.0 112.047 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.45 -6.34 4.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 112.739 167.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.698 HE21 HD23 ' A' ' 22' ' ' LEU . 6.5 pt20 -154.31 -28.61 0.12 Allowed 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -173.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.79 68.29 1.72 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.964 1.269 . . . . 0.0 111.852 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.12 175.24 9.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.536 1.534 . . . . 0.0 112.476 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -56.66 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.17 1.388 . . . . 0.0 114.115 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -73.81 16.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.552 2.741 . . . . 0.0 111.987 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 6.0 tp -64.22 -24.43 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.565 1.146 . . . . 0.0 112.112 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -85.8 -10.87 54.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.933 -0.479 . . . . 0.0 111.469 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -49.41 70.15 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -171.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.04 -33.5 70.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.233 173.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.3 m -69.08 -24.62 64.16 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 119.903 1.229 . . . . 0.0 112.647 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -95.27 -5.69 43.08 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.986 0.812 . . . . 0.0 110.841 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -103.19 -63.88 1.13 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.418 1.087 . . . . 0.0 109.5 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG3' HG21 ' A' ' 41' ' ' ILE . 7.2 ptt? -68.02 -33.53 74.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.653 -1.279 . . . . 0.0 112.523 -171.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.45 -30.78 71.81 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.389 -0.819 . . . . 0.0 109.43 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.66 -40.02 30.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 110.446 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.07 -11.97 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.748 1.219 . . . . 0.0 113.637 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -30.13 14.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 120.364 1.438 . . . . 0.0 112.124 165.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.12 89.91 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 129.511 3.124 . . . . 0.0 111.415 178.75 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.1 t . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -2.55 27.6 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.194 -0.941 . . . . 0.0 113.429 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HD11 ' A' ' 16' ' ' LEU . 73.7 m 48.33 52.23 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.757 1.265 . . . . 0.0 110.794 -171.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -59.52 168.5 1.58 Allowed 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.495 1.918 . . . . 0.0 108.025 151.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.37 97.84 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.411 2.685 . . . . 0.0 113.6 166.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -55.22 -18.81 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 120.483 -1.386 . . . . 0.0 114.489 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.27 -27.51 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.019 0.827 . . . . 0.0 110.91 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -77.96 -50.04 12.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 124.202 1.953 . . . . 0.0 108.906 174.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 10' ' ' CYS . 3.2 mt -64.2 -40.64 96.51 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 128.126 2.571 . . . . 0.0 110.172 -165.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -59.45 -44.07 93.03 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.952 1.301 . . . . 0.0 109.231 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.38 -17.86 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.488 1.115 . . . . 0.0 111.498 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -49.09 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 120.165 -1.584 . . . . 0.0 109.702 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.419 HE21 ' C ' ' A' ' 16' ' ' LEU . 5.7 pt20 -67.71 -18.73 65.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.887 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -51.34 -30.79 19.69 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.111 1.364 . . . . 0.0 111.008 172.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 67' ' ' ALA . 2.7 mm? -114.95 -87.2 0.59 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.801 -164.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.51 39.08 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.799 2.44 . . . . 0.0 109.999 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.03 132.66 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 121.334 -0.853 . . . . 0.0 110.711 -173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.05 94.57 0.07 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.632 1.573 . . . . 0.0 108.246 166.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 p -66.81 -4.75 9.96 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 112.073 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -95.26 -2.12 50.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.758 1.623 . . . . 0.0 112.326 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 m -117.18 163.33 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 121.502 1.955 . . . . 0.0 111.638 -171.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -28.2 62.45 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.851 -0.531 . . . . 0.0 111.843 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 30' ' ' LEU . 3.2 tm? -53.9 -49.56 68.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.581 0.352 . . . . 0.0 110.84 -177.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.45 -44.64 65.64 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 122.375 0.27 . . . . 0.0 110.549 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -31.7 71.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.438 -0.792 . . . . 0.0 111.945 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -58.17 -21.02 45.42 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 120.172 1.351 . . . . 0.0 112.521 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -55.88 3.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 165.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.55 -55.06 25.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -168.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -69.35 -21.18 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.6 -0.687 . . . . 0.0 112.071 -178.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.3 -19.35 23.06 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.812 -0.555 . . . . 0.0 109.852 -168.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -59.96 -59.36 5.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.264 1.026 . . . . 0.0 111.682 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.99 -32.73 69.95 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.254 -0.279 . . . . 0.0 110.865 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -16.14 49.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.572 -1.204 . . . . 0.0 112.594 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -77.61 -46.27 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.6 mm? -68.7 -32.7 72.7 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.487 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.92 -0.02 57.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.946 0.499 . . . . 0.0 110.918 -176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 170.42 16.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.155 0.979 . . . . 0.0 111.548 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -71.44 -74.09 0.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.301 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -103.44 170.5 7.91 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -60.22 -47.97 83.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.536 1.134 . . . . 0.0 112.096 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 t -58.7 -42.32 88.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 108.856 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -27.57 57.89 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.673 -0.642 . . . . 0.0 111.329 -174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.98 -62.94 1.37 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.205 1.002 . . . . 0.0 109.758 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -20.23 62.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.133 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -53.79 -26.29 23.15 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.109 -0.994 . . . . 0.0 112.556 168.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 17.2 mttm -73.66 -46.6 45.57 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 120.727 -1.233 . . . . 0.0 111.797 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.54 -37.42 82.67 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.384 0.993 . . . . 0.0 110.907 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 58' ' ' LEU . 96.6 t -65.17 -4.89 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 125.274 1.429 . . . . 0.0 111.237 176.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.0 m -112.43 10.16 19.75 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.286 1.434 . . . . 0.0 112.102 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 58' ' ' LEU . 1.9 pp -120.22 -32.9 4.03 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.683 1.583 . . . . 0.0 111.602 171.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -68.61 2.64 2.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.989 1.716 . . . . 0.0 113.66 -170.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -127.57 -15.16 5.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.983 2.513 . . . . 0.0 110.56 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 57' ' ' LEU . 28.8 t -71.06 -61.77 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -37.0 73.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -164.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 70' ' ' ILE . 4.9 mt -63.55 -37.25 86.61 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.983 0.513 . . . . 0.0 110.079 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 18.52 0.64 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.236 0.541 . . . . 0.0 111.989 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -1.79 3.12 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.458 -1.258 . . . . 0.0 113.348 165.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -152.31 -25.76 0.17 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 118.124 2.638 . . . . 0.0 118.124 -164.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.62 48.02 52.79 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 120.574 1.534 . . . . 0.0 114.377 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -83.98 174.5 10.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.79 1.295 . . . . 0.0 111.467 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.42 -55.34 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -76.74 27.08 0.13 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.383 1.473 . . . . 0.0 112.35 -167.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.478 HG21 HD11 ' A' ' 62' ' ' LEU . 6.2 tp -63.3 -31.28 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 O-C-N 120.325 -1.484 . . . . 0.0 109.87 -171.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -75.17 -18.05 60.26 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.303 0.641 . . . . 0.0 111.538 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -49.23 69.0 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 120.384 1.447 . . . . 0.0 110.505 -172.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.584 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.4 OUTLIER -60.56 -34.37 74.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.556 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.57 -14.11 56.14 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.214 0.915 . . . . 0.0 113.005 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -116.41 22.51 12.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.659 1.584 . . . . 0.0 109.093 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -135.82 -65.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.809 0.844 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.584 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.7 ptt? -61.57 -27.6 68.74 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 121.234 1.834 . . . . 0.0 112.552 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.24 -49.88 72.38 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.753 0.821 . . . . 0.0 108.901 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.36 -37.9 85.04 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.724 1.21 . . . . 0.0 112.125 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -66.6 -25.49 66.64 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.423 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -34.59 15.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.865 1.212 . . . . 0.0 110.837 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -16.14 62.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 123.612 0.765 . . . . 0.0 110.514 171.085 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 3.1 10.23 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.276 1.6 p 68.37 167.58 0.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.765 2.826 . . . . 0.0 111.3 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -172.98 -67.35 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.88 1.272 . . . . 0.0 108.521 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' HG12 ' A' ' 14' ' ' VAL . 20.4 m -113.17 134.2 54.68 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.702 2.001 . . . . 0.0 106.245 -167.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.82 -20.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.787 -0.571 . . . . 0.0 111.509 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 73' ' ' LEU . 9.8 p -49.84 -33.77 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 127.024 2.13 . . . . 0.0 112.285 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD23 HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -77.95 -54.6 6.12 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.083 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' CD2' ' HE1' ' A' ' 31' ' ' TRP . 1.4 mt -76.55 -41.12 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 127.083 2.153 . . . . 0.0 112.78 -161.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -62.18 -36.02 80.6 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.841 0.856 . . . . 0.0 109.832 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.6 -27.08 40.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 O-C-N 121.043 -1.036 . . . . 0.0 109.699 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -45.02 17.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.221 1.373 . . . . 0.0 108.518 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.5 -8.55 48.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.013 2.125 . . . . 0.0 112.414 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -67.6 -32.58 73.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.396 0.998 . . . . 0.0 110.221 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD23 HE21 ' A' ' 65' ' ' GLN . 2.1 mm? -105.48 -85.75 0.48 Allowed 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.509 0.595 . . . . 0.0 110.229 -165.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.6 35.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.176 1.79 . . . . 0.0 111.182 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.28 147.27 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -170.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.83 88.61 1.03 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.209 -1.814 . . . . 0.0 108.288 165.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 p -66.69 -33.27 75.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -74.06 29.76 0.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.661 1.184 . . . . 0.0 112.066 172.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -150.41 171.1 17.57 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.023 -1.673 . . . . 0.0 110.962 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.472 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.2 tm? -58.71 -56.55 20.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.068 -0.491 . . . . 0.0 109.708 -169.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.411 ' HE1' ' CD2' ' A' ' 16' ' ' LEU . 50.0 t90 -50.75 -37.75 43.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.705 0.684 . . . . 0.0 112.331 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.66 60.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 116.711 -1.614 . . . . 0.0 113.388 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.18 -43.59 10.17 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.488 1.495 . . . . 0.0 109.434 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.36 -54.35 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.127 0.892 . . . . 0.0 110.791 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.46 -25.39 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.731 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -44.35 15.92 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.401 1.455 . . . . 0.0 110.452 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.48 -12.06 59.59 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.649 -0.657 . . . . 0.0 111.477 -167.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.21 -57.11 14.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.066 0.936 . . . . 0.0 109.835 167.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -37.18 83.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -167.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -23.7 4.73 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 125.734 1.614 . . . . 0.0 112.49 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.07 -64.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.11 -33.81 72.63 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.338 1.055 . . . . 0.0 109.295 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.93 -0.63 56.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.943 1.697 . . . . 0.0 111.703 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 170.69 1.29 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.377 1.071 . . . . 0.0 112.621 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -62.52 -56.89 13.76 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.087 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -136.31 178.24 7.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.071 0.949 . . . . 0.0 110.89 -163.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 m -55.62 -61.89 2.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.258 1.423 . . . . 0.0 111.436 173.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -65.04 -46.2 82.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -171.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.44 -20.77 66.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.807 2.043 . . . . 0.0 112.109 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.81 -52.46 43.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 118.391 0.541 . . . . 0.0 110.41 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -84.87 -24.22 28.64 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.184 -0.948 . . . . 0.0 111.6 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.98 -18.72 59.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.643 1.177 . . . . 0.0 113.482 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.67 -33.7 14.96 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.896 -1.127 . . . . 0.0 112.193 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptp -68.46 -31.38 70.63 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.965 1.257 . . . . 0.0 112.408 -174.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.5 -32.09 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.495 1.518 . . . . 0.0 110.525 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.0 m -85.86 1.63 49.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.514 -1.366 . . . . 0.0 111.626 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.67 -46.23 6.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.12 1.768 . . . . 0.0 112.194 166.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.99 2.4 5.72 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 118.963 -2.336 . . . . 0.0 117.19 -167.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -114.36 -33.85 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.789 1.177 . . . . 0.0 110.737 172.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.97 -30.37 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 121.441 -0.787 . . . . 0.0 112.885 -172.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD12 HD11 ' A' ' 30' ' ' LEU . 2.3 mm? -70.66 -46.28 63.53 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.198 0.908 . . . . 0.0 108.734 170.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.3 -38.01 76.2 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 121.944 -0.473 . . . . 0.0 111.715 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.2 t -63.92 -5.18 4.07 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.674 1.59 . . . . 0.0 112.07 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 -3.35 6.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.608 1.163 . . . . 0.0 113.028 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.761 HE21 HD23 ' A' ' 22' ' ' LEU . 7.3 pt20 -154.35 -16.47 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.84 59.61 8.47 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 120.019 1.281 . . . . 0.0 113.269 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 178.35 2.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.711 0.804 . . . . 0.0 111.633 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m -113.34 -62.52 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 118.75 -0.643 . . . . 0.0 112.154 170.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -66.97 20.74 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.423 3.089 . . . . 0.0 114.531 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tp -69.26 -23.15 26.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 120.611 -1.306 . . . . 0.0 110.924 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -81.98 -18.51 43.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 118.809 0.731 . . . . 0.0 109.058 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -29.74 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.704 -1.247 . . . . 0.0 110.761 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 14' ' ' VAL . 1.5 mp -53.09 -57.17 11.32 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.161 1.384 . . . . 0.0 110.459 171.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.3 p -52.8 -48.72 66.7 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.98 5.52 11.47 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 118.516 -1.274 . . . . 0.0 111.985 -172.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -107.96 -85.71 0.52 Allowed 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.747 1.619 . . . . 0.0 109.001 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE1' HD23 ' A' ' 73' ' ' LEU . 11.5 ptt? -59.84 -25.06 64.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.39 1.076 . . . . 0.0 113.347 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -46.58 32.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.657 -1.277 . . . . 0.0 109.12 176.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.32 -37.43 83.24 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.863 0.865 . . . . 0.0 110.05 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -77.45 -20.61 54.2 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 125.949 1.7 . . . . 0.0 113.305 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -36.92 24.66 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 121.812 2.096 . . . . 0.0 108.903 166.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -1.41 12.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.214 1.406 . . . . 0.0 114.163 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.547 0.836 0 CA-C-N 118.554 0.615 . . . . 0.0 111.648 178.734 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 122.492 1.139 . . . . 0.0 107.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.1 26.81 8.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p 44.92 35.8 1.66 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.281 2.232 . . . . 0.0 113.871 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -55.62 127.29 29.18 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.075 2.55 . . . . 0.0 105.729 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 m 54.67 110.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 129.876 3.27 . . . . 0.0 115.093 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -20.04 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 O-C-N 120.334 -1.479 . . . . 0.0 114.462 174.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 t -45.32 -43.74 3.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 124.493 1.117 . . . . 0.0 109.224 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -83.27 -44.74 14.61 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.091 0.957 . . . . 0.0 113.038 178.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -41.28 80.35 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.279 0.945 . . . . 0.0 111.179 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -34.21 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 117.268 -1.349 . . . . 0.0 112.449 174.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 70' ' ' ILE . 3.5 t -66.88 -5.74 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 120.555 1.525 . . . . 0.0 111.31 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -114.82 -37.87 4.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.949 1.704 . . . . 0.0 110.617 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -69.93 -28.15 65.35 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.142 1.777 . . . . 0.0 111.45 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.14 -18.61 58.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.828 1.251 . . . . 0.0 110.622 171.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.7 mm? -107.45 -86.66 0.49 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.786 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.88 28.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.511 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.72 149.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.25 1.02 . . . . 0.0 109.689 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.0 127.07 49.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -52.35 -48.55 65.46 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.094 1.358 . . . . 0.0 110.556 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -70.25 31.89 0.04 OUTLIER 'General case' 0 C--O 1.238 0.459 0 C-N-CA 129.852 3.261 . . . . 0.0 113.716 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -140.56 141.22 35.25 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.931 1.292 . . . . 0.0 108.348 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -24.54 16.15 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.46 -40.23 78.05 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 125.1 1.36 . . . . 0.0 111.592 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -58.02 -37.38 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.613 0.244 . . . . 0.0 111.282 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 -29.11 27.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -55.33 -21.96 17.16 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.668 1.587 . . . . 0.0 114.17 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.6 -50.1 3.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.05 -64.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.969 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.39 72.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.958 1.254 . . . . 0.0 111.685 -171.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -20.91 62.26 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 121.615 -0.678 . . . . 0.0 110.86 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -58.65 -59.11 5.92 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.779 0.718 . . . . 0.0 110.823 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -64.23 -27.88 69.36 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.8 -0.563 . . . . 0.0 111.743 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -62.29 -12.32 20.11 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.843 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -80.71 -46.78 21.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 121.46 1.936 . . . . 0.0 106.02 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.1 mm? -72.95 -10.12 59.45 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.304 1.042 . . . . 0.0 111.506 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -111.24 11.6 21.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.085 1.354 . . . . 0.0 110.653 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 176.7 4.6 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.087 -1.008 . . . . 0.0 112.043 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -85.79 -84.69 0.16 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.396 1.478 . . . . 0.0 109.394 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 49' ' ' GLU . 49.9 m-20 -79.65 173.7 12.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -69.74 -48.63 58.69 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.468 167.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -55.41 -47.82 75.31 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 15.1 tt0 -76.49 2.58 13.37 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.705 -0.622 . . . . 0.0 111.938 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.14 -62.22 1.57 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 108.699 164.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -70.32 -23.24 62.8 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.051 -1.031 . . . . 0.0 111.631 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.91 -16.53 18.06 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.852 -1.155 . . . . 0.0 113.469 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.99 -24.42 14.93 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 120.578 1.535 . . . . 0.0 112.373 169.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.8 ptp -69.14 -37.05 78.08 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 121.234 1.834 . . . . 0.0 110.947 173.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.01 -14.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-O 121.729 0.775 . . . . 0.0 110.118 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.1 m -78.27 3.61 14.96 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 119.829 -1.795 . . . . 0.0 112.809 167.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.42 -50.8 2.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.577 1.989 . . . . 0.0 113.739 -169.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.43 6.96 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.978 1.711 . . . . 0.0 115.172 178.082 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -133.77 7.65 3.79 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 126.53 1.932 . . . . 0.0 112.847 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.72 -22.19 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 119.811 -1.806 . . . . 0.0 113.365 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' C ' ' A' ' 61' ' ' LEU 0.267 0.0 OUTLIER -111.36 -36.6 5.51 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.292 1.437 . . . . 0.0 110.665 -172.106 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -22.96 66.61 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.333 1.453 . . . . 0.0 111.223 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -64.63 -32.58 74.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.982 2.913 . . . . 0.0 108.162 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.99 -0.71 57.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.209 -0.901 . . . . 0.0 112.358 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 66' ' ' GLY . 2.5 pt20 -146.03 -85.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.855 1.207 . . . . 0.0 113.269 -167.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.493 ' H ' ' HG3' ' A' ' 65' ' ' GLN . . . 120.67 92.89 1.31 Allowed Glycine 0 C--N 1.341 0.845 0 C-N-CA 126.035 1.778 . . . . 0.0 111.653 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.6 176.12 7.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.707 1.603 . . . . 0.0 112.587 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.78 -34.67 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.95 24.35 12.92 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.29 -1.506 . . . . 0.0 110.147 -166.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.443 ' CD1' HG11 ' A' ' 18' ' ' VAL . 9.1 tp -61.43 -28.28 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 123.077 1.417 . . . . 0.0 111.297 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -75.76 -15.14 60.31 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.989 1.715 . . . . 0.0 111.111 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -40.85 54.08 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 120.492 -1.38 . . . . 0.0 110.493 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.37 -31.76 72.23 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.92 171.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.7 m -59.07 -57.59 12.38 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.524 1.057 . . . . 0.0 110.084 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.38 -16.84 63.04 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.363 1.04 . . . . 0.0 111.818 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -73.25 -72.24 0.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.024 0.829 . . . . 0.0 108.92 167.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -68.32 -21.42 64.75 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 120.015 -1.678 . . . . 0.0 113.958 -164.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -51.56 58.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 119.87 1.214 . . . . 0.0 108.818 170.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.79 -39.81 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.26 1.024 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.37 -18.16 65.19 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.128 0.971 . . . . 0.0 112.686 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.93 -28.36 9.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.708 1.14 . . . . 0.0 111.584 174.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.44 63.27 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 124.529 1.132 . . . . 0.0 111.912 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 124.763 1.225 . . . . 0.0 109.768 179.471 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.439 -1.013 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.65 10.33 17.98 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.297 1.8 p 67.41 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 129.018 2.927 . . . . 0.0 112.623 -171.128 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.388 0.6 OUTLIER 75.24 -162.08 0.06 Allowed 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.856 1.662 . . . . 0.0 110.385 171.52 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -44.46 127.47 5.91 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 131.232 3.813 . . . . 0.0 109.252 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -59.16 -22.34 21.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.83 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -50.02 -31.98 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.543 1.537 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.4 -51.08 6.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.825 1.298 . . . . 0.0 108.78 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 10' ' ' CYS . 2.9 mt -62.62 -41.83 99.23 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.896 -166.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -50.87 -39.48 54.03 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.574 1.949 . . . . 0.0 110.893 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.13 -34.72 72.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 C-N-CA 125.716 1.606 . . . . 0.0 111.326 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -44.51 17.69 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 120.765 -1.209 . . . . 0.0 109.577 177.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.91 -29.59 70.54 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.122 1.369 . . . . 0.0 112.19 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -67.85 -9.18 42.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.806 1.184 . . . . 0.0 111.567 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' A' ' 21' ' ' GLN . 2.8 mm? -108.93 -86.71 0.51 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.21 24.81 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.184 1.394 . . . . 0.0 112.017 -171.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.97 135.73 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 119.017 0.826 . . . . 0.0 111.31 -167.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.66 89.17 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.381 1.872 . . . . 0.0 108.115 165.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 p -64.18 -17.0 63.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.825 0.85 . . . . 0.0 111.104 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 4.61 49.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.372 1.869 . . . . 0.0 113.318 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -116.14 158.57 23.02 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.104 1.32 . . . . 0.0 109.099 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -28.02 26.24 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 30' ' ' LEU . 2.5 tm? -51.31 -44.29 61.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.761 0.825 . . . . 0.0 111.473 -175.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.18 -49.35 77.34 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.45 -0.781 . . . . 0.0 111.186 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -68.6 -34.06 75.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.374 0.67 . . . . 0.0 112.498 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -52.58 -27.69 17.85 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 127.068 2.147 . . . . 0.0 111.349 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -54.22 4.48 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 32' ' ' ALA . 13.0 p -64.7 -48.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.999 0.904 . . . . 0.0 111.53 -169.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -27.02 68.69 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.309 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 57' ' ' LEU . 12.3 tp -88.48 -16.63 32.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.375 0.67 . . . . 0.0 110.815 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.98 -52.94 23.59 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.012 1.325 . . . . 0.0 110.027 170.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.78 -37.8 88.74 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.059 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.06 -3.83 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.886 1.274 . . . . 0.0 111.935 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -74.47 -58.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 125.642 1.577 . . . . 0.0 109.194 167.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.8 mt -71.04 -38.72 72.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.301 -0.874 . . . . 0.0 109.539 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.8 10.42 4.14 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.04 1.736 . . . . 0.0 110.851 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.89 170.05 10.42 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.489 1.138 . . . . 0.0 112.82 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -62.26 -57.44 11.39 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 127.359 2.264 . . . . 0.0 112.241 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -147.49 166.93 25.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.525 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 4.4 m -50.61 -52.03 43.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.835 1.254 . . . . 0.0 112.673 173.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 t -63.11 -42.05 99.49 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -172.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.62 -25.36 41.45 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 122.235 -0.29 . . . . 0.0 110.729 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.34 -70.3 0.15 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -18.74 61.51 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.015 -165.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.82 -53.95 10.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.322 1.449 . . . . 0.0 111.386 171.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -75.68 -14.88 60.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.404 -0.81 . . . . 0.0 112.68 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -75.4 -48.02 24.79 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 120.429 -1.42 . . . . 0.0 110.501 171.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 m -77.5 -13.28 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -74.34 -49.72 21.7 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 165.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.69 -26.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -164.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -56.67 -26.21 55.84 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.172 -1.58 . . . . 0.0 110.586 177.104 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.5 t -91.1 -30.12 16.91 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.257 1.823 . . . . 0.0 109.8 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.97 -1.26 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 121.701 0.762 . . . . 0.0 111.147 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.427 HD23 HD21 ' A' ' 30' ' ' LEU . 23.6 mt -132.64 -57.59 0.94 Allowed 'General case' 0 CA--C 1.5 -0.947 0 C-N-CA 126.693 1.997 . . . . 0.0 110.334 -163.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.32 -29.23 63.78 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.064 0.847 . . . . 0.0 110.068 174.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -66.02 -43.08 88.67 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.045 0.841 . . . . 0.0 109.009 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -18.46 40.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.559 1.143 . . . . 0.0 113.086 -174.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -138.23 -23.33 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.462 2.393 . . . . 0.0 117.462 -166.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.56 60.79 8.36 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 119.851 1.205 . . . . 0.0 112.822 -170.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.06 -179.78 7.51 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.891 0.876 . . . . 0.0 110.813 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.67 -51.61 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 123.743 0.817 . . . . 0.0 111.383 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -74.21 13.13 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.437 1.495 . . . . 0.0 113.874 -164.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.75 -25.17 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 120.253 -1.53 . . . . 0.0 112.302 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -22.27 54.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 117.183 -1.389 . . . . 0.0 111.115 178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.05 -52.2 60.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 121.206 1.821 . . . . 0.0 110.357 -167.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -59.14 -35.11 72.92 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.665 0.386 . . . . 0.0 111.361 172.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.38 1.12 10.3 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.438 1.095 . . . . 0.0 113.151 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -117.46 8.69 13.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.585 0.754 . . . . 0.0 110.019 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -104.5 -65.84 1.0 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.421 1.488 . . . . 0.0 108.899 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -69.48 -16.23 63.42 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.745 0.818 . . . . 0.0 112.29 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -53.54 16.31 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.52 -39.81 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.898 0.856 . . . . 0.0 110.727 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -69.3 -23.69 63.85 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.072 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.525 ' CZ ' HG23 ' A' ' 47' ' ' THR . 9.8 ptt85 -74.87 -32.9 62.0 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 122.018 2.19 . . . . 0.0 110.289 168.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 -26.24 60.73 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.633 0.773 . . . . 0.0 111.485 -167.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.546 0.811 0 CA-C-N 118.504 0.593 . . . . 0.0 110.862 178.737 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG12 ' HB3' ' A' ' 36' ' ' GLN . 16.0 m . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 122.311 1.053 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 18.06 14.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.131 0.973 . . . . 0.0 113.376 -168.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.0 m 59.36 148.73 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.963 2.905 . . . . 0.0 113.032 -175.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 p -138.18 -84.81 0.29 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.632 -0.668 . . . . 0.0 110.135 -156.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -113.48 134.03 54.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 129.305 3.042 . . . . 0.0 106.359 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.6 -17.24 21.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-O 116.787 -1.578 . . . . 0.0 113.418 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -44.74 -51.01 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 124.396 1.079 . . . . 0.0 108.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -47.91 18.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.789 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.83 -32.62 67.78 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.788 0.722 . . . . 0.0 112.531 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -59.41 -39.24 82.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.378 1.471 . . . . 0.0 110.208 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.97 -33.66 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 119.731 1.15 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.573 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.5 mm? -78.4 -50.72 11.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.332 -0.855 . . . . 0.0 109.861 -174.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.23 -19.01 63.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.721 1.208 . . . . 0.0 112.421 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.94 -2.23 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 128.083 2.553 . . . . 0.0 111.662 166.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' NE2' ' A' ' 65' ' ' GLN 0.256 0.0 OUTLIER -125.56 -85.1 0.63 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 111.607 152.676 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -22.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.171 1.388 . . . . 0.0 112.911 -176.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 19' ' ' LEU 0.338 3.1 p 43.88 -174.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 130.326 3.45 . . . . 0.0 113.669 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 34.4 mt-10 -126.39 105.97 9.16 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 127.705 2.402 . . . . 0.0 108.079 167.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -53.34 -50.2 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.57 1.148 . . . . 0.0 109.088 164.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 m -73.68 69.89 1.33 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.836 1.654 . . . . 0.0 109.777 170.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 t -159.17 169.06 25.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 164.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -32.1 68.78 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.0 155.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.7 tm? -56.85 -58.5 7.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.728 0.694 . . . . 0.0 112.08 -167.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -50.7 -38.2 45.64 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.146 0.885 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.47 56.03 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 118.207 -0.901 . . . . 0.0 112.253 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -45.7 -34.71 3.71 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.899 1.68 . . . . 0.0 111.739 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -59.56 2.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.16 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 10' ' ' CYS . 4.7 p -62.51 -40.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 124.099 0.96 . . . . 0.0 112.952 -173.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -63.26 -32.79 74.28 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.166 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 3.0 tt -91.68 -30.92 16.04 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.967 -0.458 . . . . 0.0 110.416 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -51.41 -50.95 58.66 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.854 1.262 . . . . 0.0 109.553 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -73.41 -32.41 64.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.142 -1.409 . . . . 0.0 112.432 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 4.6 m-20 -59.33 -19.98 50.83 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.406 1.457 . . . . 0.0 111.326 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.05 -63.6 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 120.1 1.318 . . . . 0.0 108.544 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.27 -19.46 64.71 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.914 -0.491 . . . . 0.0 110.533 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.35 19.04 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.254 2.222 . . . . 0.0 110.228 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.94 178.76 1.67 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.93 1.348 . . . . 0.0 111.381 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -77.75 -50.83 11.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.526 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.74 170.72 18.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.137 1.375 . . . . 0.0 108.302 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -52.72 -52.66 55.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.423 1.489 . . . . 0.0 111.558 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -62.16 -43.9 97.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -172.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.46 -29.98 65.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.852 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -60.72 3.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.198 0.599 . . . . 0.0 109.715 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.44 -23.92 58.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.034 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.52 -42.94 64.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.746 0.703 . . . . 0.0 110.39 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -45.91 92.13 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 121.286 -0.884 . . . . 0.0 112.004 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.97 -34.49 77.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.799 0.727 . . . . 0.0 111.035 -172.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.55 -22.72 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.5 m -89.9 23.65 2.68 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.071 -1.643 . . . . 0.0 112.831 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.16 -54.86 1.28 Allowed 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.685 -1.259 . . . . 0.0 109.747 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 8.25 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.789 2.436 . . . . 0.0 115.121 -170.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.25 -28.16 4.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 127.748 2.419 . . . . 0.0 111.468 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.09 -56.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 CA-C-N 119.667 1.121 . . . . 0.0 108.656 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 30' ' ' LEU . 1.2 mt -61.05 -43.0 99.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.193 1.397 . . . . 0.0 108.107 -172.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 70' ' ' ILE . 4.6 mt -64.84 -36.69 85.16 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.275 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -71.69 -1.22 13.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 123.958 0.786 . . . . 0.0 111.961 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -12.66 12.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.246 1.385 . . . . 0.0 112.609 171.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.511 ' NE2' HD11 ' A' ' 22' ' ' LEU . 9.2 pt20 -149.66 -24.01 0.27 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 -166.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.98 55.53 25.47 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.767 1.621 . . . . 0.0 111.724 -170.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . . . -87.76 168.58 12.83 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.174 1.389 . . . . 0.0 109.504 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.5 -45.55 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -163.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.14 19.0 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.715 1.606 . . . . 0.0 113.145 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 62' ' ' LEU . 7.2 tp -63.89 -30.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 120.5 -1.375 . . . . 0.0 113.011 -162.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.29 -18.68 45.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.631 1.573 . . . . 0.0 111.418 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -63.21 -53.12 58.12 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.66 1.118 . . . . 0.0 109.405 -171.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -31.63 65.06 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 118.587 -0.721 . . . . 0.0 112.824 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.67 -51.7 68.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.033 0.833 . . . . 0.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.99 -6.45 47.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.974 0.51 . . . . 0.0 111.925 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.31 -73.36 0.36 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 166.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -59.7 -34.61 73.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -170.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.63 -29.23 69.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.422 1.01 . . . . 0.0 111.618 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.77 -36.93 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.346 0.593 . . . . 0.0 110.229 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.21 -24.7 67.77 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.894 0.878 . . . . 0.0 112.447 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -43.98 16.96 Favored 'General case' 0 CA--C 1.523 -0.076 0 CA-C-N 119.079 0.854 . . . . 0.0 110.881 167.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.73 70.29 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.464 -0.772 . . . . 0.0 112.716 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 124.559 1.143 . . . . 0.0 111.09 175.02 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.442 -0.846 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.45 23.76 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.9 m 58.54 149.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.394 2.278 . . . . 0.0 112.814 -167.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -165.58 156.86 14.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.833 1.653 . . . . 0.0 106.936 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t 49.62 174.55 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.313 2.245 . . . . 0.0 110.543 -166.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.94 -12.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 O-C-N 120.037 -1.665 . . . . 0.0 109.969 165.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -55.45 -34.11 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.203 1.001 . . . . 0.0 109.35 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 -42.85 12.25 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 172.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.1 -34.63 78.5 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 112.275 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -23.28 65.02 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.545 -0.722 . . . . 0.0 112.069 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.97 -27.84 40.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 C-N-CA 124.252 1.021 . . . . 0.0 109.684 167.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.13 -48.89 7.69 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.869 -1.769 . . . . 0.0 110.116 -169.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.41 -21.12 66.1 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.346 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG3' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -71.2 -24.74 62.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.12 1.327 . . . . 0.0 111.638 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' HG3' ' A' ' 21' ' ' GLN . 1.4 mm? -117.84 8.34 12.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.146 1.339 . . . . 0.0 113.614 -175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 71.72 42.92 0.61 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.901 2.08 . . . . 0.0 109.724 160.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -47.66 148.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.929 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.06 82.53 0.97 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 p -62.65 -10.83 13.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.861 1.664 . . . . 0.0 112.181 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 m -114.45 14.3 17.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.538 2.335 . . . . 0.0 111.671 -173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.18 174.67 10.27 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.311 1.444 . . . . 0.0 109.944 -165.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.94 62.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.676 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -46.3 88.22 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 119.607 -0.837 . . . . 0.0 113.204 -166.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -55.11 -33.57 62.95 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.699 -0.626 . . . . 0.0 111.001 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.45 -22.02 30.48 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -54.48 -24.02 18.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 111.509 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.9 t -92.67 -63.02 1.28 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.255 1.022 . . . . 0.0 110.253 172.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.69 -32.04 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 117.882 -1.056 . . . . 0.0 112.352 -153.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -37.98 85.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.748 1.158 . . . . 0.0 109.774 171.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 53' ' ' LYS . 7.3 tp -77.88 -23.49 48.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.739 1.215 . . . . 0.0 111.621 -170.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.83 -50.77 72.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.819 1.248 . . . . 0.0 109.931 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -59.99 -41.86 92.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.94 0.876 . . . . 0.0 110.01 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.93 -9.43 54.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.356 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mm -73.3 -63.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.292 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.07 -25.37 68.34 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -168.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.33 -60.64 1.97 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.25 -153.81 0.03 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.157 0.983 . . . . 0.0 113.589 -173.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -132.81 -54.97 0.94 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.494 1.917 . . . . 0.0 106.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.31 168.11 12.45 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.243 1.817 . . . . 0.0 106.43 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -59.76 -50.84 72.24 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.054 -0.404 . . . . 0.0 110.812 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -57.79 -48.82 78.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.57 -0.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.149 1.379 . . . . 0.0 111.921 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.75 -74.84 0.18 Allowed 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.223 -1.548 . . . . 0.0 108.325 161.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -69.78 -22.91 63.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 121.876 -0.515 . . . . 0.0 111.945 -170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.39 -30.14 51.04 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.101 -0.999 . . . . 0.0 111.964 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HB3' HD11 ' A' ' 37' ' ' LEU . 34.8 mttp -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.195 0.907 . . . . 0.0 111.326 173.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.7 ptp -66.79 -35.4 79.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.132 0.424 . . . . 0.0 111.078 -172.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 49.0 t -65.56 -14.87 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.37 0.668 . . . . 0.0 110.434 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.1 m -107.81 22.33 16.12 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.125 1.77 . . . . 0.0 111.629 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -46.38 1.79 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.444 1.498 . . . . 0.0 107.391 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -75.27 8.57 2.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -165.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -123.61 -43.3 2.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.913 1.685 . . . . 0.0 110.318 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.33 -45.69 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 118.945 0.793 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -47.03 88.26 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 117.901 0.318 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.78 -32.77 67.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.261 0.624 . . . . 0.0 109.781 -174.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -75.34 3.69 8.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 123.338 0.655 . . . . 0.0 112.076 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -14.71 13.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 120.687 -1.258 . . . . 0.0 111.443 167.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.3 -23.87 0.17 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 119.654 3.205 . . . . 0.0 119.654 -159.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.53 64.26 4.14 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.617 1.553 . . . . 0.0 113.5 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -84.27 -169.33 2.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.829 -0.806 . . . . 0.0 112.166 174.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.77 -51.12 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.541 0 C-N-CA 124.563 1.145 . . . . 0.0 111.09 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 14.18 1.95 Allowed 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.591 1.182 . . . . 0.0 108.224 -157.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.75 -31.7 50.04 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 120.735 -1.228 . . . . 0.0 110.968 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.15 -27.67 63.72 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.323 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.39 -49.73 70.42 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 118.725 0.693 . . . . 0.0 110.539 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -27.6 68.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.937 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.7 m -59.73 -51.48 69.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.873 0.761 . . . . 0.0 109.104 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -77.63 -6.72 54.77 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.707 0.803 . . . . 0.0 112.864 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -71.48 -69.87 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 156.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -69.11 -24.59 64.14 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -159.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -39.16 77.43 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 119.74 1.154 . . . . 0.0 111.413 173.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.52 -40.89 56.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.397 0.617 . . . . 0.0 109.729 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -65.97 -11.12 45.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.735 1.214 . . . . 0.0 112.858 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -34.27 8.84 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 120.096 1.316 . . . . 0.0 112.184 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.56 71.46 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.295 0.638 . . . . 0.0 112.073 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 125.718 1.607 . . . . 0.0 111.535 174.67 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.443 -0.781 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.71 1.2 20.98 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 125.2 1.4 . . . . 0.0 112.119 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.08 16.84 5.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.185 1.394 . . . . 0.0 113.205 173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.301 4.3 t 43.71 -86.52 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.87 3.268 . . . . 0.0 114.08 155.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -139.0 143.94 38.69 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 129.506 3.123 . . . . 0.0 107.505 -164.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.741 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.08 -34.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 119.635 1.107 . . . . 0.0 111.667 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.17 -55.17 8.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 119.94 -1.725 . . . . 0.0 107.051 175.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.73 -37.13 85.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 112.61 -2.086 . . . . 0.0 111.696 -160.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -54.54 -39.31 67.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 128.735 2.814 . . . . 0.0 111.555 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.18 -31.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 125.819 1.648 . . . . 0.0 111.29 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -82.39 -48.23 11.38 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.552 -0.718 . . . . 0.0 109.435 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -66.1 -16.64 64.12 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.983 0.913 . . . . 0.0 111.998 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -15.59 31.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 120.05 1.295 . . . . 0.0 112.05 174.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.863 HD23 HE21 ' A' ' 65' ' ' GLN . 0.7 OUTLIER -116.29 -85.94 0.62 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.927 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.6 18.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.953 0.901 . . . . 0.0 113.323 -163.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 19' ' ' LEU . 13.0 p -52.58 162.63 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.789 -1.194 . . . . 0.0 111.595 -172.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 27' ' ' SER . 28.1 mt-10 -121.91 116.94 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.319 1.047 . . . . 0.0 111.557 -173.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -69.47 30.6 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.068 1.747 . . . . 0.0 112.637 164.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 25' ' ' GLU . 6.8 t -140.4 10.39 2.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.413 1.885 . . . . 0.0 110.84 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -134.09 145.16 49.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.989 -1.07 . . . . 0.0 108.654 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.64 -29.96 4.92 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 61' ' ' LEU . 2.1 tm? -53.49 -51.16 63.67 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.051 1.34 . . . . 0.0 111.47 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -49.74 -50.04 45.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.016 0.826 . . . . 0.0 110.912 176.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.92 76.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.84 -39.22 11.58 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.437 1.495 . . . . 0.0 110.248 -177.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.2 -49.59 16.76 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.444 0.465 . . . . 0.0 110.773 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.21 -50.41 68.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 124.339 1.055 . . . . 0.0 111.5 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -43.46 98.84 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' LYS . 5.8 tt -65.79 -32.84 74.61 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.725 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -56.73 -51.96 66.83 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.425 1.011 . . . . 0.0 111.065 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -68.17 -32.45 72.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.464 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.77 -7.37 26.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.577 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.19 -63.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 121.369 1.895 . . . . 0.0 107.423 166.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.45 -22.04 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.43 0.692 . . . . 0.0 110.61 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.8 17.21 23.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.41 1.884 . . . . 0.0 110.83 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.04 -176.81 1.2 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.593 1.187 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -71.06 -51.17 26.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.529 1.932 . . . . 0.0 112.253 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.38 173.04 12.63 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 129.177 2.991 . . . . 0.0 109.116 -166.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -55.39 -55.59 29.83 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.645 1.178 . . . . 0.0 112.344 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 t -68.89 -46.91 67.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -166.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.26 3.88 16.68 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.181 0.515 . . . . 0.0 110.872 -174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.63 1.37 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 164.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -69.78 -27.06 64.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.89 -0.506 . . . . 0.0 111.795 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.98 -9.38 21.17 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.954 -1.092 . . . . 0.0 113.267 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HB3' HD21 ' A' ' 37' ' ' LEU . 36.4 mttm -78.48 -40.21 36.12 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.832 1.196 . . . . 0.0 112.669 163.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.5 ptp -69.27 -38.51 78.41 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.717 -1.24 . . . . 0.0 110.711 -170.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.71 -16.51 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 126.809 2.044 . . . . 0.0 114.401 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -85.44 -48.96 8.49 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 126.015 1.726 . . . . 0.0 109.406 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 60' ' ' VAL 0.276 1.4 pp -62.39 -43.89 97.76 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.284 0.947 . . . . 0.0 112.157 -176.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -60.16 -12.48 8.67 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -172.145 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' HD12 ' A' ' 58' ' ' LEU . 40.6 t -98.45 -50.45 4.3 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 125.493 1.517 . . . . 0.0 108.188 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LEU . 5.5 p -57.94 -41.23 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.61 -58.21 8.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 119.041 0.837 . . . . 0.0 109.656 176.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.1 -21.3 66.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.932 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -80.57 -1.56 42.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.174 0.99 . . . . 0.0 112.168 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -9.43 8.58 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 120.161 1.346 . . . . 0.0 112.934 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.863 HE21 HD23 ' A' ' 22' ' ' LEU . 8.9 pt20 -150.93 -30.56 0.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -173.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.07 63.52 3.94 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 118.48 0.582 . . . . 0.0 112.134 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.95 19.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.508 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.6 m -104.09 -59.01 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.841 0.746 . . . . 0.0 112.356 173.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -74.02 23.91 0.08 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.883 2.073 . . . . 0.0 114.149 -167.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.42 -26.77 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 120.542 -1.349 . . . . 0.0 112.097 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -5.75 58.79 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.712 0.805 . . . . 0.0 112.525 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -75.25 -59.37 2.77 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 119.901 1.228 . . . . 0.0 109.155 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -21.73 4.35 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.448 1.099 . . . . 0.0 113.651 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.37 -47.49 81.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.773 0.715 . . . . 0.0 109.855 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -67.37 -27.08 66.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.77 0.713 . . . . 0.0 110.63 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -63.7 -85.2 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.972 0.805 . . . . 0.0 109.304 160.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -62.39 -32.24 73.02 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.041 -1.662 . . . . 0.0 114.067 -159.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -48.89 52.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.34 -31.84 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.607 -0.683 . . . . 0.0 110.372 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -18.8 63.98 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.261 -0.899 . . . . 0.0 112.931 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -88.63 -37.13 15.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 119.624 1.102 . . . . 0.0 111.16 164.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -21.83 65.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.333 1.053 . . . . 0.0 113.382 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.18 0.992 . . . . 0.0 110.557 178.741 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.438 -1.027 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -0.16 35.81 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 175.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.578 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.33 1.6 p 61.96 175.45 0.13 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.655 2.782 . . . . 0.0 112.372 -173.403 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -163.14 -53.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -154.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 15' ' ' LEU . 19.1 m -127.53 95.43 4.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -154.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.97 -29.66 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.936 -166.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.9 -51.2 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 124.375 1.047 . . . . 0.0 108.379 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -69.26 -41.99 76.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.909 2.484 . . . . 0.0 111.895 -176.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' HG ' ' A' ' 15' ' ' LEU . 4.1 mm? -67.93 -47.98 67.21 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.842 0.857 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -39.63 56.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.815 1.646 . . . . 0.0 111.782 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 18' ' ' VAL . 6.9 t -53.82 -38.96 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 119.569 1.077 . . . . 0.0 112.28 174.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.4 mt -85.64 -43.67 13.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.94 -28.75 67.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.687 1.195 . . . . 0.0 111.035 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -27.9 43.03 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 119.349 0.977 . . . . 0.0 111.75 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.933 HD23 HE21 ' A' ' 65' ' ' GLN . 0.9 OUTLIER -103.11 -81.66 0.5 Allowed 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.85 6.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -165.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -45.35 135.71 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 124.587 1.155 . . . . 0.0 112.13 -164.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -93.15 115.21 27.85 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 p -55.47 -33.64 63.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.577 0.751 . . . . 0.0 110.27 164.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -58.51 -7.47 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.44 2.296 . . . . 0.0 114.175 171.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.9 t -118.22 147.06 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.446 1.475 . . . . 0.0 108.351 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -26.54 5.04 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.013 168.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD11 HD12 ' A' ' 61' ' ' LEU . 2.3 tm? -54.69 -45.31 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.274 1.03 . . . . 0.0 111.179 -174.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -51.37 -56.0 15.5 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.33 73.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.261 1.024 . . . . 0.0 113.571 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.95 -43.94 60.34 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 125.596 1.558 . . . . 0.0 108.265 176.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -4.93 58.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.668 -172.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.24 -51.94 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -54.96 -40.81 70.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 177.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' N ' HE21 ' A' ' 36' ' ' GLN . 6.4 tp -78.6 -11.24 59.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.608 1.163 . . . . 0.0 112.249 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -71.62 -45.61 61.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.42 -0.8 . . . . 0.0 109.047 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.86 -46.9 86.67 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -8.21 1.8 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.858 1.663 . . . . 0.0 114.052 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.32 -49.37 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.669 1.122 . . . . 0.0 108.842 168.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.8 -31.87 72.78 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.763 1.625 . . . . 0.0 109.792 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -99.35 13.31 33.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.972 1.309 . . . . 0.0 111.265 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 156.52 38.87 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.678 0.391 . . . . 0.0 110.792 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -61.09 -46.1 92.04 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 123.966 0.906 . . . . 0.0 112.068 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -143.54 -176.25 4.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 109.033 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -64.53 -55.72 18.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.31 1.444 . . . . 0.0 112.087 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t -55.49 -47.97 75.33 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.25 -17.98 64.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.622 1.569 . . . . 0.0 112.625 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.53 -72.2 0.19 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.328 0.967 . . . . 0.0 109.557 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -67.6 -20.84 65.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.264 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 -21.7 2.09 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -103.63 -27.61 12.21 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 119.399 1.0 . . . . 0.0 113.208 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ptp -64.0 -40.86 97.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.222 1.374 . . . . 0.0 109.945 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.61 -6.52 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 125.163 1.385 . . . . 0.0 110.829 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -109.14 8.73 26.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.543 1.137 . . . . 0.0 114.063 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -117.41 -39.28 3.19 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.747 1.612 . . . . 0.0 109.02 176.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 5.31 0.38 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 127.418 2.287 . . . . 0.0 115.655 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.79 -3.87 4.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 112.521 172.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 57' ' ' LEU . 7.2 p -66.16 -42.99 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 120.379 1.445 . . . . 0.0 107.353 159.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.409 HD12 HD11 ' A' ' 30' ' ' LEU . 2.0 mm? -60.7 -52.71 63.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 70' ' ' ILE . 10.1 mt -68.97 -13.53 62.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -168.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -94.51 -2.09 52.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.443 1.097 . . . . 0.0 110.775 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.28 -35.53 6.26 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.631 1.172 . . . . 0.0 110.871 169.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.933 HE21 HD23 ' A' ' 22' ' ' LEU . 8.7 pt20 -133.6 -18.18 2.2 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 117.33 2.345 . . . . 0.0 117.33 -167.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.83 56.15 26.71 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.691 1.132 . . . . 0.0 114.843 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 177.12 3.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.047 0.939 . . . . 0.0 112.802 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 p -123.49 -47.21 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.956 0 C-N-CA 126.01 1.724 . . . . 0.0 111.406 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.31 21.1 1.48 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.029 -159.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.491 HG13 HD21 ' A' ' 62' ' ' LEU . 8.8 mm -46.41 -48.62 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.786 164.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.49 -14.53 62.56 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.172 -166.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -70.91 0.22 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.124 0.969 . . . . 0.0 108.937 174.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -49.54 -32.83 13.25 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.46 1.104 . . . . 0.0 113.087 -176.062 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 86.0 m -54.89 -56.98 13.56 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.735 1.214 . . . . 0.0 108.982 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.23 -11.3 59.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.995 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -88.1 -62.79 1.41 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.35 1.432 . . . . 0.0 108.268 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.51 ' CE ' HD12 ' A' ' 73' ' ' LEU . 18.1 ptt? -66.96 -22.68 65.92 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.2 -1.562 . . . . 0.0 113.32 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.62 -23.98 45.59 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.722 0.692 . . . . 0.0 112.041 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -36.01 12.25 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 118.425 0.557 . . . . 0.0 110.539 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.62 -26.39 21.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.238 1.415 . . . . 0.0 111.367 173.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -37.93 11.33 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.733 0.697 . . . . 0.0 112.068 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.75 66.84 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.193 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 124.426 1.09 . . . . 0.0 110.223 -179.658 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 122.542 1.163 . . . . 0.0 108.713 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -3.93 20.42 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 113.856 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 m 45.72 69.51 0.45 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 125.633 1.833 . . . . 0.0 108.615 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -103.66 152.62 21.57 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.662 2.385 . . . . 0.0 105.861 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 t 52.2 -172.36 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 124.138 1.923 . . . . 0.0 109.365 -153.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.97 -12.2 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 C-N-CA 127.965 2.506 . . . . 0.0 108.067 169.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 HD23 ' A' ' 15' ' ' LEU . 7.4 p -60.72 -27.88 41.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.367 0.531 . . . . 0.0 110.735 -176.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -82.88 -61.8 1.77 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 168.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -42.32 73.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -164.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -53.24 -40.13 64.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.495 1.118 . . . . 0.0 111.152 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 22' ' ' LEU . 5.1 t -66.09 -22.63 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.225 1.01 . . . . 0.0 111.363 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.52 -38.62 12.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 121.146 1.794 . . . . 0.0 110.214 175.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.13 -28.31 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.154 1.781 . . . . 0.0 111.51 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.86 -23.77 54.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.734 2.014 . . . . 0.0 109.757 171.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.532 HD23 HE21 ' A' ' 65' ' ' GLN . 1.8 mm? -132.33 11.72 4.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 114.703 -170.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.491 ' HD2' ' C ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 62.85 46.11 5.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.65 1.691 . . . . 0.0 111.202 161.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 30' ' ' LEU . 5.7 p -44.05 161.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 111.103 -2.771 . . . . 0.0 111.216 162.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.28 104.2 11.84 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -168.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -57.91 -23.5 53.58 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 m -83.85 8.6 14.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.67 1.588 . . . . 0.0 112.959 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -124.1 153.17 41.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.646 1.566 . . . . 0.0 110.586 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -29.3 10.69 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.352 172.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 24' ' ' VAL . 1.7 tm? -53.6 -45.43 70.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.224 1.009 . . . . 0.0 111.641 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -66.0 -24.26 66.74 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.946 -1.096 . . . . 0.0 112.49 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.69 -35.75 24.26 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.058 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -49.7 -24.04 2.08 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.394 2.277 . . . . 0.0 113.825 -171.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -54.09 2.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.761 0.663 . . . . 0.0 111.192 172.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.54 -44.18 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.961 0.904 . . . . 0.0 112.51 -175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -28.86 27.39 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.597 HD13 HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -72.7 -27.15 61.89 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.785 176.211 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -54.72 -60.98 2.62 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.498 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -63.04 -32.78 74.23 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.069 0.849 . . . . 0.0 110.973 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -11.83 19.83 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.67 -46.73 30.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 121.963 2.165 . . . . 0.0 106.127 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -72.35 -23.07 61.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.247 1.819 . . . . 0.0 110.574 -176.437 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.28 11.33 36.88 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 110.298 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 166.67 22.36 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.025 -1.047 . . . . 0.0 111.372 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -81.52 -51.88 7.81 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.875 1.27 . . . . 0.0 111.441 -174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.16 -176.59 2.94 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.717 1.607 . . . . 0.0 108.082 -169.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -73.71 -61.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.603 -0.685 . . . . 0.0 109.189 165.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.437 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 6.8 t -56.72 -43.32 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.178 0.514 . . . . 0.0 110.38 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.08 -15.66 63.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.225 1.01 . . . . 0.0 111.751 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.76 -58.3 3.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.883 0.873 . . . . 0.0 110.101 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 48' ' ' THR . 13.2 p90 -68.22 -29.48 68.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.364 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.58 -24.05 2.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.459 1.504 . . . . 0.0 114.064 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -28.5 13.79 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 111.626 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 ptp -70.28 -35.66 73.88 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.016 -1.677 . . . . 0.0 111.679 172.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.0 m -69.28 -3.73 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 120.665 -1.272 . . . . 0.0 113.668 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -115.87 12.99 15.96 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 131.282 3.833 . . . . 0.0 112.786 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 58' ' ' LEU . 3.1 pp -121.97 -37.51 2.84 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.729 1.212 . . . . 0.0 111.581 169.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.5 pt? -60.14 -31.61 70.25 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 118.945 0.793 . . . . 0.0 111.773 -172.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -69.38 -43.05 74.32 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.03 -37.68 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 128.947 2.899 . . . . 0.0 111.38 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 21.3 mt -70.59 -63.5 1.08 Allowed 'General case' 0 CA--C 1.485 -1.539 0 C-N-CA 127.454 2.302 . . . . 0.0 106.176 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.33 -24.99 21.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.799 1.181 . . . . 0.0 111.537 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -77.3 -0.86 27.04 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.405 ' SD ' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -124.26 -22.71 4.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.684 2.393 . . . . 0.0 111.98 175.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.532 HE21 HD23 ' A' ' 22' ' ' LEU . 17.4 pt20 -148.25 -15.34 0.34 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -161.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.61 65.9 3.19 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 120.99 1.723 . . . . 0.0 114.149 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.61 149.03 22.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.65 1.18 . . . . 0.0 110.994 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.69 -50.09 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 112.49 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.99 22.45 1.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.563 1.545 . . . . 0.0 112.04 -163.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -73.09 -11.65 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 O-C-N 120.987 -1.071 . . . . 0.0 112.373 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.2 -5.68 46.47 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.99 0.916 . . . . 0.0 112.25 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -56.89 5.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.572 1.533 . . . . 0.0 109.507 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 15' ' ' LEU . 1.2 pt? -51.71 -33.97 36.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 117.884 -1.055 . . . . 0.0 111.918 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.05 -55.6 29.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.367 0.985 . . . . 0.0 110.422 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -73.19 -4.53 33.52 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.031 0.932 . . . . 0.0 111.633 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -96.27 -60.66 1.57 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.227 1.011 . . . . 0.0 109.313 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -64.84 -31.09 72.16 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.723 -1.236 . . . . 0.0 112.655 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.03 -19.61 65.72 Favored 'General case' 0 C--O 1.226 -0.155 0 O-C-N 121.33 -0.856 . . . . 0.0 111.66 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -31.01 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.818 1.247 . . . . 0.0 110.856 -175.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.06 -29.42 69.72 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.705 0.802 . . . . 0.0 110.578 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 -40.39 26.89 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.746 0.703 . . . . 0.0 111.631 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 126.16 1.784 . . . . 0.0 113.443 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.326 -0.417 0 C-N-CA 123.886 0.874 . . . . 0.0 110.467 -170.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.94 40.37 3.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.84 -1.162 . . . . 0.0 113.737 -167.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.27 0.6 OUTLIER 67.34 102.15 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.385 1.874 . . . . 0.0 112.844 169.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -83.96 -70.32 0.58 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.604 1.562 . . . . 0.0 109.327 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -139.32 128.5 23.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.654 2.382 . . . . 0.0 106.757 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.4 -21.26 20.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.229 -172.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 14' ' ' VAL . 11.0 t -47.05 -38.44 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 127.048 2.139 . . . . 0.0 111.648 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -89.34 -50.49 6.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 118.35 0.523 . . . . 0.0 110.291 175.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.95 -44.13 74.05 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 111.169 -171.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.97 -31.38 71.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 117.849 -1.072 . . . . 0.0 112.367 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.13 -37.96 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 119.63 1.104 . . . . 0.0 109.651 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 HE22 ' A' ' 65' ' ' GLN . 1.1 mm? -76.89 -51.87 10.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -71.24 -16.15 62.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.273 1.429 . . . . 0.0 112.369 -172.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.35 -23.89 62.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.77 1.628 . . . . 0.0 110.78 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 67' ' ' ALA . 17.2 mt -117.56 -87.22 0.62 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.917 -160.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.92 32.22 0.0 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.301 1.441 . . . . 0.0 112.24 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.27 155.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.691 1.234 . . . . 0.0 111.446 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -106.21 104.3 13.97 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -50.79 13.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.187 0.995 . . . . 0.0 109.024 162.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 60.48 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.649 2.38 . . . . 0.0 112.024 171.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -161.18 167.22 26.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.42 -1.425 . . . . 0.0 109.096 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -26.37 68.41 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 121.67 -0.644 . . . . 0.0 110.796 162.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.92 -55.33 35.9 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.686 -171.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -49.91 -36.96 29.52 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.936 0.789 . . . . 0.0 111.841 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -78.15 -32.34 50.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.075 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -49.98 -36.75 29.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.386 1.075 . . . . 0.0 110.59 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -53.29 7.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.583 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 32' ' ' ALA . 1.3 p -77.15 -4.09 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.405 HE21 ' CA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -98.75 -32.17 11.52 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 168.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' CA ' HE21 ' A' ' 36' ' ' GLN . 5.3 tt -88.63 -29.8 19.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.507 -166.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.16 -48.4 70.93 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 118.939 0.79 . . . . 0.0 110.936 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -62.06 -39.5 92.58 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 123.414 0.685 . . . . 0.0 109.639 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 82.3 m-20 -66.56 -4.36 8.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.213 -173.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.9 mm -78.52 -46.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.55 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -73.15 -28.87 62.48 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.673 1.589 . . . . 0.0 110.099 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 15.98 20.42 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.624 1.57 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -178.25 2.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 122.108 0.956 . . . . 0.0 109.962 171.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -76.37 -57.46 3.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.798 -0.564 . . . . 0.0 110.821 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.95 173.38 11.69 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -161.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.556 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 17.4 m -56.76 -56.85 16.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.325 1.05 . . . . 0.0 109.984 -177.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 t -60.36 -54.51 44.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.02 -18.0 63.9 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.711 1.204 . . . . 0.0 111.415 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.91 -61.81 1.7 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.911 0.778 . . . . 0.0 110.038 174.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -72.74 -24.12 60.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.508 -0.745 . . . . 0.0 110.591 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.44 -12.91 6.91 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -99.79 -25.72 14.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.52 -1.228 . . . . 0.0 114.108 168.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -68.61 -36.87 79.24 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.722 2.055 . . . . 0.0 111.305 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.28 -30.63 44.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 124.131 0.972 . . . . 0.0 111.002 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.4 m -86.84 7.9 25.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.359 1.864 . . . . 0.0 111.71 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -45.39 3.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.656 1.982 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.56 6.43 0.32 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.778 2.031 . . . . 0.0 114.21 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -126.1 -7.93 6.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.319 1.848 . . . . 0.0 111.56 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.63 -59.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -39.3 70.45 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -167.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 70' ' ' ILE . 3.6 mt -57.29 -36.83 71.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 109.901 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -72.92 18.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.342 1.457 . . . . 0.0 111.337 175.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.67 0.76 1.28 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 119.996 -1.69 . . . . 0.0 113.388 169.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' HD13 ' A' ' 22' ' ' LEU . 1.9 pt20 -151.96 -27.66 0.18 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.318 -166.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.06 57.44 14.78 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 120.9 1.682 . . . . 0.0 111.848 -174.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 22' ' ' LEU . . . -75.4 151.24 38.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 121.939 -0.741 . . . . 0.0 110.327 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -84.13 -49.59 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 123.356 0.41 . . . . 0.0 109.988 167.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.48 19.11 0.64 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -159.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 62' ' ' LEU . 10.7 tp -64.59 -30.56 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 O-C-N 120.577 -1.327 . . . . 0.0 112.141 -172.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -20.77 60.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.388 177.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.66 -53.05 57.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.187 1.358 . . . . 0.0 110.196 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.03 -30.57 71.7 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.979 177.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.9 m -62.78 -43.98 97.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.705 0.684 . . . . 0.0 110.571 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.11 -13.43 60.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.637 0.653 . . . . 0.0 112.653 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.22 -72.05 0.32 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 163.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -64.8 -35.61 81.64 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -165.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -38.38 89.91 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.995 1.27 . . . . 0.0 108.588 176.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -34.95 59.67 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.257 0.551 . . . . 0.0 111.957 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.34 -29.11 61.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.32 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.584 ' NH1' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -65.62 -25.96 67.61 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 120.781 -1.2 . . . . 0.0 111.4 168.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . . . -86.49 -0.58 56.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.603 2.361 . . . . 0.0 114.061 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 120.179 1.354 . . . . 0.0 111.186 174.663 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.48 HG13 HG13 ' A' ' 35' ' ' VAL . 2.2 t . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 124.201 1.953 . . . . 0.0 115.885 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 10.82 0.82 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 -165.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 16' ' ' LEU 0.313 26.3 p 45.71 65.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 126.234 1.813 . . . . 0.0 113.762 166.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 12' ' ' SER 0.272 9.7 t -123.26 -79.92 0.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.993 -158.046 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.674 ' H ' HG23 ' A' ' 11' ' ' THR . 4.5 m -48.36 106.03 0.09 Allowed 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.212 2.605 . . . . 0.0 109.154 171.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.92 -23.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 120.242 1.383 . . . . 0.0 112.876 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.09 -35.88 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 122.883 0.473 . . . . 0.0 110.555 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -19.82 33.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.505 1.048 . . . . 0.0 110.929 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 10' ' ' CYS . 3.2 mt -99.99 -39.83 7.95 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.588 1.955 . . . . 0.0 112.983 -167.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -56.2 -46.05 79.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.922 1.689 . . . . 0.0 111.402 176.077 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB1' ' A' ' 67' ' ' ALA 0.295 0.0 OUTLIER -44.81 -17.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 120.977 3.695 . . . . 0.0 120.977 160.599 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.6 -50.32 3.04 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -172.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.8 pt20 -65.5 -18.23 65.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.09 0.956 . . . . 0.0 112.077 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -49.84 -33.04 15.68 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.699 1.2 . . . . 0.0 112.79 166.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.788 HD23 HE21 ' A' ' 65' ' ' GLN . 2.9 mm? -110.8 -85.66 0.55 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.188 -162.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.823 1.649 . . . . 0.0 111.383 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.22 148.51 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 122.163 0.982 . . . . 0.0 110.749 -169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -108.48 108.5 19.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 p -59.29 -19.73 48.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 122.914 0.486 . . . . 0.0 111.727 166.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -71.48 -3.48 21.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.282 1.433 . . . . 0.0 112.999 171.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -120.56 151.27 39.63 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.214 1.37 . . . . 0.0 108.387 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.62 15.13 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.579 HD11 HD23 ' A' ' 61' ' ' LEU . 2.6 tm? -54.16 -49.09 70.08 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.572 1.149 . . . . 0.0 111.647 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -51.67 -49.79 61.68 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.953 1.252 . . . . 0.0 110.897 173.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -69.17 -35.83 76.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.061 -177.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -52.06 -20.93 2.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.814 2.446 . . . . 0.0 112.645 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -86.11 -65.27 1.03 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.177 1.791 . . . . 0.0 111.06 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG13 HG13 ' A' ' 8' ' ' VAL . 9.0 p -63.64 -41.17 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 C-N-CA 123.555 0.742 . . . . 0.0 112.343 -170.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -24.43 66.37 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.567 0.747 . . . . 0.0 109.085 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tt -88.27 -32.16 18.64 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.79 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.12 -50.85 65.96 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.739 1.154 . . . . 0.0 111.89 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -64.15 -40.38 96.02 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.764 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.49 -16.88 10.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.377 0.99 . . . . 0.0 112.322 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.96 -58.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 120.03 1.286 . . . . 0.0 107.852 170.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.64 -25.32 67.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.017 0.927 . . . . 0.0 111.14 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.13 12.99 32.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.579 1.552 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 176.16 3.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.92 . . . . 0.0 113.357 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -63.48 -58.27 7.56 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.818 0.847 . . . . 0.0 110.389 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.47 179.23 7.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 126.842 2.057 . . . . 0.0 108.101 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 24.9 m -45.49 -60.01 2.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.967 3.307 . . . . 0.0 110.949 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.7 t -68.88 -41.01 78.91 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -64.47 -20.84 66.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.836 0.855 . . . . 0.0 110.753 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.5 -62.45 1.41 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -71.78 -21.68 61.69 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.718 -176.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -23.94 5.65 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.752 1.221 . . . . 0.0 113.102 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -100.75 -29.45 12.27 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.337 0.655 . . . . 0.0 112.011 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 ptp -67.8 -37.21 81.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.377 1.444 . . . . 0.0 112.054 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.36 -24.33 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.279 0.632 . . . . 0.0 109.741 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m -79.08 -38.77 35.5 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 120.647 -1.283 . . . . 0.0 110.952 172.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -52.88 63.86 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.245 1.418 . . . . 0.0 108.947 -174.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -62.03 -10.77 10.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -171.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.8 t -109.55 -19.92 13.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.462 1.105 . . . . 0.0 110.204 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.03 -48.94 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 120.637 1.562 . . . . 0.0 108.419 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 30' ' ' LEU . 2.4 mt -74.33 -49.42 22.96 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 121.654 -0.654 . . . . 0.0 110.492 -166.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.43 -34.35 75.25 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.454 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t -69.87 2.19 3.67 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.365 0.529 . . . . 0.0 111.937 173.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -22.31 5.11 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.693 1.133 . . . . 0.0 111.644 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.788 HE21 HD23 ' A' ' 22' ' ' LEU . 9.5 pt20 -147.95 -4.14 0.49 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 119.222 3.045 . . . . 0.0 119.222 -165.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.14 55.36 24.55 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 121.958 2.163 . . . . 0.0 114.396 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB1' HG12 ' A' ' 18' ' ' VAL . . . -96.84 165.76 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.696 1.198 . . . . 0.0 112.768 177.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -55.5 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -173.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.467 ' HB2' HG13 ' A' ' 18' ' ' VAL . 1.3 m-20 -60.24 0.98 0.13 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.07 2.148 . . . . 0.0 115.695 -164.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -65.43 -28.9 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.113 1.365 . . . . 0.0 111.483 -167.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.41 0.02 57.4 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.303 1.041 . . . . 0.0 112.362 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -70.92 -58.18 3.85 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 120.304 1.411 . . . . 0.0 107.433 163.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -31.99 71.81 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.999 -167.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.3 p -54.49 -60.07 3.85 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.344 1.429 . . . . 0.0 109.916 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.15 -17.05 63.17 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.75 1.22 . . . . 0.0 111.031 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -79.37 -64.23 1.23 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.431 1.492 . . . . 0.0 109.543 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -69.27 -31.65 70.31 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.962 -1.086 . . . . 0.0 112.676 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.07 -29.78 71.08 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.417 0.687 . . . . 0.0 111.162 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.71 -26.92 18.38 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.015 -0.428 . . . . 0.0 111.236 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.33 -27.01 68.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.763 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' CZ ' HG23 ' A' ' 47' ' ' THR . 6.1 ptt85 -76.04 -40.98 52.21 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.182 1.356 . . . . 0.0 110.85 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.88 62.06 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.633 1.573 . . . . 0.0 113.671 -168.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.552 1.041 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.181 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.33 88.69 2.79 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.625 -0.672 . . . . 0.0 110.416 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -60.26 117.15 4.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.9 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 12' ' ' SER 0.302 5.9 t -125.0 -87.07 0.62 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 11' ' ' THR . 53.0 m -70.39 119.54 14.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.709 1.204 . . . . 0.0 109.225 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.57 -17.63 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.275 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -45.89 -43.26 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.181 1.792 . . . . 0.0 111.008 174.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -93.39 -28.59 16.07 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 118.461 -0.781 . . . . 0.0 112.674 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 35' ' ' VAL . 3.4 mm? -78.71 -41.44 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 120.068 1.303 . . . . 0.0 111.72 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.1 t -63.37 -38.69 92.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.475 1.11 . . . . 0.0 108.43 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 69' ' ' ASP . 28.7 m -63.41 -15.92 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 121.172 -0.955 . . . . 0.0 113.304 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.29 -42.73 6.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.884 0.874 . . . . 0.0 109.032 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -64.7 -17.76 64.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.991 1.717 . . . . 0.0 111.421 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.624 HE22 ' CG2' ' A' ' 68' ' ' VAL . 10.0 mt-30 -59.03 -42.74 90.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 109.82 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 65' ' ' GLN . 1.3 mm? -94.67 -86.29 0.29 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -168.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.46 41.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 123.057 1.408 . . . . 0.0 112.502 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 150.26 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 119.54 -1.975 . . . . 0.0 110.915 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -108.78 108.97 19.99 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.287 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -56.16 -46.56 79.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.08 1.752 . . . . 0.0 110.279 165.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -78.09 46.76 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 110.392 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -152.75 157.85 41.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -24.73 60.72 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.731 -0.605 . . . . 0.0 112.31 174.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -51.63 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.083 0.953 . . . . 0.0 111.932 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -60.72 -15.98 34.96 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.7 -29.19 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 117.043 -1.456 . . . . 0.0 113.223 170.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -51.88 -29.14 18.6 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.874 1.67 . . . . 0.0 112.47 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -58.69 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 16' ' ' LEU . 42.9 t -52.16 -48.17 43.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -39.52 55.49 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.797 1.181 . . . . 0.0 110.374 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 57' ' ' LEU . 1.2 tt -67.6 -23.07 65.34 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.508 1.123 . . . . 0.0 110.514 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -56.87 -48.68 77.58 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 120.829 -1.169 . . . . 0.0 110.47 170.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -62.84 -42.46 99.75 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 118.199 0.454 . . . . 0.0 109.808 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -58.15 -19.12 30.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.936 1.294 . . . . 0.0 112.374 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mm -71.28 -44.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.5 mm? -72.12 -27.62 62.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.398 1.479 . . . . 0.0 111.449 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.86 -3.45 58.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.078 0.399 . . . . 0.0 110.413 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.53 158.87 35.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.716 0.769 . . . . 0.0 110.331 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -40.29 83.62 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.558 1.143 . . . . 0.0 111.543 -174.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.22 176.88 9.0 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.614 1.166 . . . . 0.0 108.046 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -55.44 -56.81 15.88 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 123.868 0.867 . . . . 0.0 111.952 170.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -55.75 -47.01 77.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -168.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -75.78 -25.99 56.92 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -61.2 2.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -79.27 -18.58 52.46 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.913 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.92 -48.83 51.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 119.348 0.977 . . . . 0.0 110.484 168.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -29.3 61.57 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.253 -0.904 . . . . 0.0 111.485 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 ptp -67.92 -42.2 81.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.296 1.407 . . . . 0.0 111.729 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.432 ' HA ' HD22 ' A' ' 58' ' ' LEU . 53.3 t -70.68 -6.46 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 120.912 -1.117 . . . . 0.0 110.35 176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 m -93.58 1.5 56.67 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 116.821 -1.562 . . . . 0.0 113.824 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 60' ' ' VAL . 3.1 pp -118.17 -30.86 5.18 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 122.773 2.533 . . . . 0.0 112.569 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -75.35 2.25 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.58 1.552 . . . . 0.0 114.099 -165.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -116.13 -29.45 6.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.725 1.61 . . . . 0.0 109.53 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 57' ' ' LEU . 1.9 t -55.49 -51.91 52.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 124.423 1.089 . . . . 0.0 109.539 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -33.11 61.35 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -168.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.56 -40.14 78.24 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 122.847 0.459 . . . . 0.0 110.211 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -71.04 8.77 0.85 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.584 1.154 . . . . 0.0 111.702 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -3.27 4.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.641 166.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 1.9 pt20 -152.79 -27.66 0.15 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -167.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.02 64.85 3.7 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 120.509 1.504 . . . . 0.0 113.195 -170.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.89 164.09 16.79 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.739 -0.859 . . . . 0.0 112.783 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.648 HG23 ' H ' ' A' ' 69' ' ' ASP . 1.3 m -97.03 -82.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' H ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -65.91 19.92 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 131.108 3.763 . . . . 0.0 113.053 -164.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.52 -27.5 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 O-C-N 120.09 -1.631 . . . . 0.0 111.381 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.79 -17.0 60.02 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 123.882 0.873 . . . . 0.0 112.94 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -66.03 -51.08 61.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 119.47 1.032 . . . . 0.0 109.889 -173.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.59 -26.66 65.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.488 177.254 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.9 m -64.18 -18.85 64.88 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.534 1.061 . . . . 0.0 112.337 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -112.31 19.61 17.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.952 2.101 . . . . 0.0 108.405 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.19 -67.42 0.92 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.288 1.435 . . . . 0.0 109.475 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -66.55 -25.16 66.52 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.701 -1.249 . . . . 0.0 112.27 -172.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.17 77.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.202 1.001 . . . . 0.0 110.781 170.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.88 -36.63 49.48 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 110.965 -177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -66.41 -16.86 64.41 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.588 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -32.09 14.22 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.074 0.852 . . . . 0.0 112.088 168.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.88 81.05 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.982 1.313 . . . . 0.0 113.167 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.534 0.364 0 C-N-CA 123.75 0.82 . . . . 0.0 110.558 -171.562 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -5.5 27.08 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 52.1 74.95 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 109.336 -172.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.313 0.0 OUTLIER -97.14 -87.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.476 0.71 . . . . 0.0 110.085 -171.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.428 ' HB2' HD21 ' A' ' 15' ' ' LEU . 72.2 m -67.86 127.89 34.47 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 123.798 0.839 . . . . 0.0 109.62 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.75 -15.54 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 121.403 -0.811 . . . . 0.0 112.539 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.33 -23.68 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 126.857 2.063 . . . . 0.0 112.004 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 12' ' ' SER . 0.1 OUTLIER -100.64 -48.45 4.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.844 1.257 . . . . 0.0 109.496 177.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.95 -33.07 71.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -63.34 -31.68 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.503 1.121 . . . . 0.0 110.784 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.2 t -68.99 -38.7 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.321 1.448 . . . . 0.0 110.45 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -49.14 37.76 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.667 0.667 . . . . 0.0 109.737 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.66 -11.46 60.16 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.756 0.822 . . . . 0.0 112.253 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -15.95 45.44 Favored 'General case' 0 C--N 1.34 0.175 0 O-C-N 121.109 -0.995 . . . . 0.0 112.167 169.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD23 HE21 ' A' ' 65' ' ' GLN . 1.5 mm? -119.72 -84.25 0.66 Allowed 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.982 0.81 . . . . 0.0 112.345 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.76 36.39 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.027 1.731 . . . . 0.0 112.255 -165.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.2 156.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.804 0.812 . . . . 0.0 110.086 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -120.37 117.09 26.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 127.924 2.49 . . . . 0.0 106.055 173.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 p -57.82 -40.08 79.17 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 109.904 171.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -75.07 22.53 0.11 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.644 1.978 . . . . 0.0 112.927 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 155.94 49.37 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.874 -1.141 . . . . 0.0 108.626 171.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.42 37.58 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.3 tm? -60.4 -49.26 78.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.416 1.086 . . . . 0.0 111.254 -169.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -48.08 -48.99 33.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.564 0.62 . . . . 0.0 110.494 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.55 73.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.289 -1.338 . . . . 0.0 112.157 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -45.78 -41.99 11.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.808 1.186 . . . . 0.0 110.641 176.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -68.25 -63.16 1.11 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.1 -43.08 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.467 1.107 . . . . 0.0 110.113 -170.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -49.39 59.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.098 0.959 . . . . 0.0 112.231 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 5.0 tt -64.61 -29.93 70.95 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.808 -0.558 . . . . 0.0 109.629 -171.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -52.9 -57.46 10.2 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.225 0.61 . . . . 0.0 112.062 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -30.5 69.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.138 -174.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.4 -1.15 1.56 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.169 1.388 . . . . 0.0 113.447 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.6 mm -82.99 -48.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 CA-C-N 121.311 1.869 . . . . 0.0 106.601 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.34 -18.48 61.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.151 1.381 . . . . 0.0 111.037 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.52 21.61 16.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.893 1.677 . . . . 0.0 109.231 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -93.47 167.18 11.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.384 1.088 . . . . 0.0 111.443 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -71.01 -58.33 3.68 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 126.255 1.822 . . . . 0.0 111.088 -166.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -137.94 173.37 11.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.84 1.656 . . . . 0.0 107.327 -170.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.9 m -61.53 -50.75 71.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.591 0.756 . . . . 0.0 111.908 -173.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -61.84 -47.08 86.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.25 -8.25 58.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.106 0.562 . . . . 0.0 111.631 -168.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' ALA . . . -75.61 -68.81 0.53 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.015 1.326 . . . . 0.0 109.531 164.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -14.39 61.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.719 -168.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -39.06 30.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.398 1.479 . . . . 0.0 112.726 172.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -84.56 -34.3 23.26 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.791 0.723 . . . . 0.0 111.539 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.93 -48.14 73.5 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.165 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.38 -17.46 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -90.18 -32.23 16.71 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 109.257 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -61.2 -52.8 63.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.486 2.314 . . . . 0.0 110.1 178.128 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -3.16 0.77 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -118.31 -26.05 6.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 110.237 -175.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -30.69 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 120.53 -1.356 . . . . 0.0 110.282 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.24 -57.18 8.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.43 -37.01 74.52 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 119.263 -0.399 . . . . 0.0 111.393 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -71.43 2.34 5.09 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.335 1.054 . . . . 0.0 112.148 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -6.75 8.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.992 -1.068 . . . . 0.0 112.53 171.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.736 HE21 HD23 ' A' ' 22' ' ' LEU . 10.4 pt20 -160.09 -30.34 0.06 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.2 57.54 8.36 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.281 0.946 . . . . 0.0 115.218 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . -56.76 170.6 0.39 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.503 1.121 . . . . 0.0 113.133 170.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.55 -62.24 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.088 166.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -63.62 17.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 130.826 3.65 . . . . 0.0 115.429 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.594 HG23 HD22 ' A' ' 71' ' ' ASN . 10.3 tp -65.22 -28.88 45.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 120.114 -1.616 . . . . 0.0 112.598 -169.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.594 HD22 HG23 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -77.87 -16.63 58.12 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.45 -178.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -49.23 64.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.183 1.356 . . . . 0.0 111.062 -170.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -62.62 -22.31 66.31 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.76 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.61 -53.81 20.36 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.488 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.55 -17.75 64.23 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.975 0.807 . . . . 0.0 111.523 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.88 -69.86 0.39 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.68 1.127 . . . . 0.0 108.914 163.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -70.26 -17.83 63.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -56.56 10.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.032 1.287 . . . . 0.0 108.182 168.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -36.94 78.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.861 0.864 . . . . 0.0 110.92 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.33 -12.29 61.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.357 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 -7.33 15.78 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 119.651 1.114 . . . . 0.0 112.785 173.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.57 -17.77 22.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.647 1.579 . . . . 0.0 111.95 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.535 0.374 0 O-C-N 121.016 -1.053 . . . . 0.0 112.363 -166.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.871 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -100.09 110.11 22.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 43.82 -86.37 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.322 2.249 . . . . 0.0 114.866 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -152.33 -168.77 3.16 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 119.487 1.039 . . . . 0.0 111.246 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.6 ptm -57.06 96.88 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.291 1.436 . . . . 0.0 110.304 166.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -73.49 55.26 0.48 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.028 1.331 . . . . 0.0 110.81 168.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.69 62.94 2.39 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.581 1.553 . . . . 0.0 111.933 165.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.54 71.95 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 124.995 1.318 . . . . 0.0 109.672 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.68 33.26 4.48 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.291 1.436 . . . . 0.0 111.283 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HD11 ' A' ' 16' ' ' LEU . 33.7 m 50.01 68.09 0.8 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.534 1.934 . . . . 0.0 111.432 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -71.65 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 127.542 2.337 . . . . 0.0 111.931 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.9 m -128.26 130.41 47.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.203 1.001 . . . . 0.0 109.514 -160.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.53 -23.37 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 121.841 -0.537 . . . . 0.0 111.995 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.52 -24.52 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 125.838 1.655 . . . . 0.0 111.925 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 HD13 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -85.9 -53.42 5.11 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 119.678 1.126 . . . . 0.0 109.254 170.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 10' ' ' CYS . 9.8 mt -64.69 -42.93 94.96 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 129.571 3.148 . . . . 0.0 111.696 -159.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.1 t -54.26 -50.55 66.97 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.243 1.417 . . . . 0.0 108.394 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.23 -12.74 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 125.124 1.37 . . . . 0.0 111.926 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.9 mt -94.85 -49.9 5.37 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.666 -1.272 . . . . 0.0 109.365 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.4 -17.68 64.28 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.342 1.057 . . . . 0.0 111.935 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.3 -19.78 24.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.468 1.907 . . . . 0.0 111.165 171.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.584 HD23 HE21 ' A' ' 65' ' ' GLN . 1.2 mm? -118.53 -85.26 0.65 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.966 0.907 . . . . 0.0 110.033 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.39 21.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.742 1.217 . . . . 0.0 112.73 -168.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.0 p -54.44 150.46 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.911 0.863 . . . . 0.0 109.955 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -116.47 122.02 43.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.1 p -48.24 -40.93 26.13 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.097 1.759 . . . . 0.0 111.494 165.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -69.17 -21.4 63.99 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.604 1.962 . . . . 0.0 112.816 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 m -109.94 132.23 54.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.55 -28.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.611 1.565 . . . . 0.0 114.448 -170.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -44.66 -48.38 10.56 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.369 2.267 . . . . 0.0 112.769 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -51.52 -57.94 7.68 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 122.011 0.91 . . . . 0.0 109.646 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 -34.05 77.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.88 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -33.25 43.75 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.418 1.087 . . . . 0.0 110.164 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.4 t -89.48 -50.46 6.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.518 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.82 -52.12 18.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 C-N-CA 123.94 0.896 . . . . 0.0 109.973 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -32.98 64.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.081 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' CB ' ' A' ' 53' ' ' LYS . 3.2 tt -68.93 -28.98 67.14 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.273 -0.892 . . . . 0.0 110.126 -169.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -47.55 -58.84 3.76 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 124.528 1.131 . . . . 0.0 110.228 167.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -59.43 -43.05 93.15 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -65.86 -8.42 21.86 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.088 -174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.416 HG23 ' HB1' ' A' ' 50' ' ' ALA . 20.8 mm -73.15 -61.22 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.607 1.163 . . . . 0.0 107.887 166.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.74 -24.77 67.03 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.834 -1.166 . . . . 0.0 111.004 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.65 13.77 30.89 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.164 2.186 . . . . 0.0 110.512 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 168.45 14.44 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.727 -0.608 . . . . 0.0 110.795 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -57.64 -48.25 79.97 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.033 0.933 . . . . 0.0 112.087 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -147.82 -169.03 3.23 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 107.667 -164.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.335 -0.06 0 C-N-CA 124.003 0.921 . . . . 0.0 111.232 168.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -58.59 -46.81 86.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.679 0.792 . . . . 0.0 109.762 -166.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -72.87 -11.21 60.5 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.773 -0.58 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -73.55 -64.44 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 120.972 -1.08 . . . . 0.0 109.652 169.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -23.45 63.96 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.63 -171.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -50.49 -33.56 21.83 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.448 0.699 . . . . 0.0 112.646 167.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' CB ' HD21 ' A' ' 37' ' ' LEU . 40.5 mttt -75.13 -44.72 45.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.61 1.096 . . . . 0.0 110.404 175.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptp -66.54 -37.03 84.12 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.043 -1.036 . . . . 0.0 111.469 -173.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' HA ' HD22 ' A' ' 58' ' ' LEU . 94.7 t -67.47 -7.34 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 124.154 0.982 . . . . 0.0 110.569 176.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.8 m -106.92 11.49 29.86 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 119.821 -1.8 . . . . 0.0 113.001 173.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.0 pp -111.96 -40.68 4.17 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 120.002 1.274 . . . . 0.0 111.314 168.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.05 -32.43 69.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 119.16 -2.212 . . . . 0.0 111.335 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.475 ' H ' HD23 ' A' ' 58' ' ' LEU . 7.0 t -78.63 -35.0 46.09 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 126.511 1.924 . . . . 0.0 108.48 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 57' ' ' LEU . 4.0 p -70.88 -44.28 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 118.574 0.624 . . . . 0.0 109.527 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD12 HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -67.47 -56.72 8.44 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.75 -18.59 65.18 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.44 -0.788 . . . . 0.0 112.453 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 t -70.38 -46.44 64.02 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.07 43.8 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.463 -175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.584 HE21 HD23 ' A' ' 22' ' ' LEU . 8.1 pt20 -142.72 -15.25 0.73 Allowed 'General case' 0 C--N 1.348 0.507 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -165.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.86 34.19 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 120.147 1.34 . . . . 0.0 114.486 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.02 165.44 24.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.826 0.85 . . . . 0.0 111.967 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 m -107.05 -56.08 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.265 1.026 . . . . 0.0 112.109 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.31 16.48 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.114 2.966 . . . . 0.0 114.003 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -73.82 -15.7 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 O-C-N 119.341 -2.1 . . . . 0.0 112.321 -167.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -87.21 -16.81 34.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.372 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -53.84 53.31 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.232 0.924 . . . . 0.0 109.854 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD13 HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -56.36 -43.1 78.81 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.163 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.16 -54.48 46.52 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.489 0.586 . . . . 0.0 110.83 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -73.7 -7.13 50.82 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.258 0.349 . . . . 0.0 111.86 -176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.28 -66.13 0.93 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.014 -1.054 . . . . 0.0 109.188 165.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -68.79 -25.03 64.49 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.471 -0.768 . . . . 0.0 112.982 -169.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -69.4 -41.62 76.19 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.004 1.274 . . . . 0.0 110.588 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -71.73 -28.38 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.863 0.865 . . . . 0.0 110.831 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -82.04 -11.31 58.88 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.384 -0.823 . . . . 0.0 109.59 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -49.32 9.46 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 126.183 1.793 . . . . 0.0 108.642 169.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.08 -33.45 75.78 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.867 0.867 . . . . 0.0 111.48 -172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 t -61.07 -18.51 58.25 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.913 1.285 . . . . 0.0 111.709 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 mt -96.64 1.18 50.88 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 125.238 1.415 . . . . 0.0 113.537 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.834 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.777 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -129.75 158.87 38.21 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.099 0.96 . . . . 0.0 109.321 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -75.41 -78.51 0.11 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.051 0.54 . . . . 0.0 110.877 166.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.443 ' HE3' ' C ' ' A' ' 5' ' ' MET . 0.0 OUTLIER 46.13 165.57 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 129.967 3.307 . . . . 0.0 111.985 -148.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.443 ' C ' ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -155.49 169.59 23.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.988 2.115 . . . . 0.0 108.665 176.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -123.14 54.06 1.27 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 123.002 1.382 . . . . 0.0 110.11 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.17 48.24 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.943 2.097 . . . . 0.0 111.667 166.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.34 69.11 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 C-N-CA 125.09 1.356 . . . . 0.0 110.482 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -112.29 19.68 17.46 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.864 1.666 . . . . 0.0 112.686 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 71.77 145.11 0.07 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 128.127 2.571 . . . . 0.0 110.958 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.6 p -114.01 -67.0 1.03 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.751 1.22 . . . . 0.0 108.613 -169.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -148.92 134.95 19.1 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.439 2.696 . . . . 0.0 105.109 -166.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.1 m -64.06 -19.49 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.952 -174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.21 -21.39 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 125.686 1.595 . . . . 0.0 113.877 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -107.25 -45.88 4.01 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.309 1.044 . . . . 0.0 112.706 172.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.05 -39.55 86.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.863 0.756 . . . . 0.0 111.21 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.412 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 5.2 t -55.6 -45.52 77.45 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 125.545 1.538 . . . . 0.0 110.164 177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.08 -22.5 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 O-C-N 120.747 -1.22 . . . . 0.0 112.044 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.61 -50.23 6.2 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.834 -1.166 . . . . 0.0 109.124 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.2 pt20 -71.02 -17.11 62.64 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.64 -1.171 . . . . 0.0 112.542 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.516 ' HG3' HD22 ' A' ' 22' ' ' LEU . 3.0 pt20 -66.95 -11.26 56.01 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.378 1.445 . . . . 0.0 111.226 174.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.696 HD23 HE21 ' A' ' 65' ' ' GLN . 2.7 mm? -113.79 -85.89 0.59 Allowed 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.98 1.312 . . . . 0.0 110.116 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.01 25.41 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.233 1.413 . . . . 0.0 113.189 -166.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -52.08 159.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.07 0.948 . . . . 0.0 111.482 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -120.19 118.64 31.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.172 1.389 . . . . 0.0 108.631 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.1 p -68.7 -23.4 64.37 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.132 -0.355 . . . . 0.0 111.491 169.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 p -69.69 2.02 3.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.595 1.158 . . . . 0.0 113.498 172.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.4 m -121.51 160.99 23.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 109.862 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -23.9 61.29 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 176.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.713 HD11 HD12 ' A' ' 61' ' ' LEU . 1.2 tm? -58.19 -50.65 72.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.362 0.665 . . . . 0.0 110.533 -164.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -48.02 -42.34 27.88 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.827 1.251 . . . . 0.0 111.847 170.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.47 -31.69 48.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.575 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -45.12 -37.47 4.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.224 1.374 . . . . 0.0 111.798 168.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.01 -62.37 1.72 Allowed 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 123.189 0.306 . . . . 0.0 110.396 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.11 -42.26 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.932 -0.556 . . . . 0.0 112.272 -167.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -27.12 62.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.417 1.008 . . . . 0.0 112.157 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -89.11 -14.43 36.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 121.371 -0.831 . . . . 0.0 110.952 -174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CD2' HD22 ' A' ' 15' ' ' LEU . 40.9 t-80 -64.07 -55.42 22.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.2 0.909 . . . . 0.0 109.622 174.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.93 -38.28 87.84 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.646 -0.692 . . . . 0.0 111.205 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -14.44 50.46 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.036 0.834 . . . . 0.0 112.749 -176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.71 -57.98 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 172.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.11 -40.82 86.95 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.3 13.58 6.34 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.92 2.088 . . . . 0.0 110.644 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 177.2 1.54 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.019 1.327 . . . . 0.0 113.19 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.16 -48.49 15.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.658 1.183 . . . . 0.0 112.021 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.5 168.33 19.87 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.411 1.084 . . . . 0.0 108.198 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.5 m -59.76 -50.12 75.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.965 0.506 . . . . 0.0 111.34 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 t -61.22 -43.32 99.06 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -72.57 -15.71 61.75 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.638 -0.664 . . . . 0.0 112.068 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.68 75.29 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 119.227 0.921 . . . . 0.0 110.215 170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -96.56 -26.1 15.38 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.356 -169.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.88 -36.16 58.85 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.838 0.745 . . . . 0.0 110.474 170.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -31.82 56.5 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.735 -1.228 . . . . 0.0 113.397 176.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -68.15 -39.5 82.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 120.92 1.691 . . . . 0.0 110.409 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.16 -7.22 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.395 1.078 . . . . 0.0 110.871 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -108.2 10.72 27.83 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 126.045 1.738 . . . . 0.0 112.535 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.91 -48.37 2.84 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 120.491 1.496 . . . . 0.0 109.441 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -54.85 -35.42 63.98 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.885 1.674 . . . . 0.0 112.55 -160.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 t -77.56 -27.88 51.64 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.786 1.234 . . . . 0.0 109.597 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.71 -44.5 81.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 CA-C-N 119.075 0.852 . . . . 0.0 108.776 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -65.27 -50.43 65.77 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.42 -37.49 86.02 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.909 -0.495 . . . . 0.0 111.69 -174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -63.33 -8.02 7.73 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 127.94 2.496 . . . . 0.0 111.979 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.97 -12.29 5.88 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.701 1.2 . . . . 0.0 113.811 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.696 HE21 HD23 ' A' ' 22' ' ' LEU . 7.1 pt20 -150.57 -10.56 0.25 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 -176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.3 46.74 43.96 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 124.827 1.203 . . . . 0.0 112.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.0 176.13 0.76 Allowed 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.395 1.078 . . . . 0.0 111.508 175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.4 p -117.38 -50.85 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 C-N-CA 123.326 0.65 . . . . 0.0 110.091 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -81.97 14.75 2.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 118.22 -1.392 . . . . 0.0 109.642 -157.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 tp -64.15 -19.94 25.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 O-C-N 120.871 -1.143 . . . . 0.0 111.225 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -76.4 -25.19 54.27 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 123.162 0.585 . . . . 0.0 111.443 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -67.0 -52.4 43.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.528 0.604 . . . . 0.0 110.323 -170.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.7 OUTLIER -54.79 -37.44 66.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.38 173.7 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.8 m -59.39 -48.12 82.84 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 119.677 1.126 . . . . 0.0 110.676 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.54 -45.44 94.17 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 124.141 0.901 . . . . 0.0 109.27 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.73 -55.02 38.19 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.795 0.438 . . . . 0.0 110.69 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.415 ' CE ' HD12 ' A' ' 73' ' ' LEU . 13.2 ptt? -72.07 -22.24 61.39 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.587 0.63 . . . . 0.0 112.38 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.64 -53.44 41.45 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.532 1.06 . . . . 0.0 110.38 166.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.24 -21.59 61.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.429 -0.794 . . . . 0.0 110.649 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.42 -28.0 65.76 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.891 -1.131 . . . . 0.0 111.488 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.53 -32.41 17.18 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 120.337 1.426 . . . . 0.0 111.095 174.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -28.61 69.12 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -69.7 -5.23 23.64 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.085 0.954 . . . . 0.0 110.991 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.09 -4.05 58.46 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 120.838 -1.164 . . . . 0.0 112.529 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 C--O 1.252 1.213 0 C-N-CA 123.373 0.669 . . . . 0.0 111.072 -151.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.563 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -161.43 -39.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.679 1.192 . . . . 0.0 109.683 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m 61.58 169.65 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.963 1.705 . . . . 0.0 112.238 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 126.49 34.94 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 158.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 ptm 46.27 -62.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 131.032 3.733 . . . . 0.0 118.067 165.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 64.41 16.42 10.18 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.854 1.662 . . . . 0.0 114.603 -176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' OD1' ' HE2' ' A' ' 9' ' ' LYS . 4.2 t70 73.94 74.88 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 123.537 1.637 . . . . 0.0 111.391 172.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m -121.32 71.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.932 -171.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HE2' ' OD1' ' A' ' 7' ' ' ASP . 0.7 OUTLIER -123.89 17.33 9.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.622 1.169 . . . . 0.0 113.608 -175.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t 52.2 88.59 0.03 OUTLIER 'General case' 0 C--O 1.236 0.377 0 C-N-CA 126.0 1.72 . . . . 0.0 110.362 -170.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -97.44 150.23 21.27 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 161.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m 44.07 99.08 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 129.417 3.087 . . . . 0.0 113.823 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -55.57 -17.02 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 O-C-N 119.867 -1.771 . . . . 0.0 114.16 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.5 t -44.68 -45.65 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.894 1.278 . . . . 0.0 109.451 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -85.09 -40.18 17.08 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 118.488 0.585 . . . . 0.0 112.181 -178.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.46 -31.32 71.98 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.741 0.7 . . . . 0.0 111.993 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -54.65 -42.6 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.67 1.588 . . . . 0.0 109.502 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.12 -16.7 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 123.605 0.762 . . . . 0.0 112.216 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -96.21 -48.27 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 120.636 -1.29 . . . . 0.0 109.726 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -69.08 -14.21 62.89 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.897 0.879 . . . . 0.0 111.651 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 22' ' ' LEU . 5.0 mt-30 -50.32 -34.37 23.43 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.781 1.232 . . . . 0.0 110.709 165.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 HE21 ' A' ' 65' ' ' GLN . 2.8 mm? -110.31 -85.68 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -162.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.97 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.675 0.79 . . . . 0.0 112.455 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.67 141.03 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 124.059 0.944 . . . . 0.0 109.744 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -100.65 125.83 47.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 104.448 -2.427 . . . . 0.0 104.448 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.7 p -58.94 -29.27 66.99 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 119.27 0.941 . . . . 0.0 110.928 172.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -62.3 -31.14 71.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.132 0.973 . . . . 0.0 111.041 174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -69.11 138.44 54.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -23.93 2.9 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.129 0.966 . . . . 0.0 111.74 169.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD11 HD12 ' A' ' 61' ' ' LEU . 1.6 tm? -53.78 -41.54 67.33 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 126.716 2.006 . . . . 0.0 112.595 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -55.73 -55.89 26.98 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.409 0.55 . . . . 0.0 109.844 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -39.52 90.64 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.568 1.147 . . . . 0.0 112.064 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -36.05 30.05 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 125.443 1.497 . . . . 0.0 111.477 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.4 t -79.76 -58.5 3.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.91 -42.42 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.74 0.816 . . . . 0.0 110.42 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -42.87 84.31 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.556 0.616 . . . . 0.0 112.082 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -74.56 -14.01 60.74 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.506 1.123 . . . . 0.0 110.881 -173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.433 ' CD2' HD22 ' A' ' 15' ' ' LEU . 56.0 t-80 -60.84 -49.45 77.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.252 0.621 . . . . 0.0 110.082 170.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -60.97 -37.94 84.19 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -24.94 31.25 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.341 1.056 . . . . 0.0 111.916 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.475 HG23 ' HB1' ' A' ' 50' ' ' ALA . 11.5 mm -76.65 -49.49 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.181 1.392 . . . . 0.0 109.301 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.8 mt -69.31 -40.47 77.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 O-C-N 120.39 -1.444 . . . . 0.0 109.001 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.48 5.96 9.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.602 1.161 . . . . 0.0 111.007 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.79 162.37 16.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 122.455 1.122 . . . . 0.0 112.914 -173.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.12 -58.47 8.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.767 1.627 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.33 179.91 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 125.662 1.585 . . . . 0.0 106.949 176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.5 m -59.28 -56.63 19.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 111.918 165.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.16 -52.79 60.01 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.19 -0.35 11.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.994 0.517 . . . . 0.0 111.582 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB1' HG23 ' A' ' 41' ' ' ILE . . . -79.62 -70.16 0.53 Allowed 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.604 -1.31 . . . . 0.0 108.858 162.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -66.88 -25.24 66.3 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 111.188 -170.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.77 -36.8 27.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.208 1.003 . . . . 0.0 112.054 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -87.95 -28.63 21.36 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.91 -1.118 . . . . 0.0 111.802 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 ptp -67.08 -37.62 84.29 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.551 1.523 . . . . 0.0 111.13 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.74 -11.51 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.516 1.526 . . . . 0.0 110.742 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 m -92.64 -5.95 50.37 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.941 0.896 . . . . 0.0 112.704 172.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -107.7 -48.05 3.49 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 120.247 -1.533 . . . . 0.0 109.002 -169.181 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -66.12 7.61 0.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 126.885 2.074 . . . . 0.0 114.89 -171.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -112.7 -37.98 4.72 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.499 1.92 . . . . 0.0 111.706 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.5 p -68.78 -23.03 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 119.339 0.972 . . . . 0.0 111.92 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD12 HD11 ' A' ' 30' ' ' LEU . 3.2 mm? -66.97 -58.23 5.35 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 168.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.12 -32.91 70.26 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.126 0.971 . . . . 0.0 113.484 -164.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -70.71 -26.0 63.21 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -24.33 19.4 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.837 -1.165 . . . . 0.0 112.543 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.586 HE21 HD23 ' A' ' 22' ' ' LEU . 9.3 pt20 -142.13 -19.38 0.72 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 117.564 2.431 . . . . 0.0 117.564 -168.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.3 53.26 30.19 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 120.091 1.314 . . . . 0.0 113.562 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.28 173.17 11.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 117.698 0.749 . . . . 0.0 112.022 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.4 m -126.26 -41.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -79.35 16.95 0.9 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.097 -1.627 . . . . 0.0 112.44 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tp -66.39 -22.82 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 O-C-N 120.322 -1.486 . . . . 0.0 112.011 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -82.77 -14.67 54.02 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 119.114 -0.469 . . . . 0.0 111.368 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.04 -53.84 27.38 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 119.556 1.071 . . . . 0.0 109.717 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.41 -27.1 65.71 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.404 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.2 m -56.25 -56.16 24.4 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-N 119.176 0.898 . . . . 0.0 109.791 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -74.64 -3.64 32.47 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 126.283 1.833 . . . . 0.0 111.189 -175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -71.89 0.53 Allowed 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 170.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -65.03 -24.28 67.44 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -172.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.41 -52.1 17.47 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 119.738 1.154 . . . . 0.0 109.407 172.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.3 -29.09 69.81 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.975 0.893 . . . . 0.0 110.69 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -68.55 -27.26 65.93 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 120.898 -1.126 . . . . 0.0 111.612 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.25 -29.68 22.92 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 119.286 0.948 . . . . 0.0 111.52 168.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.33 62.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.072 0.949 . . . . 0.0 113.462 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 t -73.91 -20.07 60.5 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 120.535 -1.353 . . . . 0.0 110.3 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 67.8 mt -76.15 3.1 11.29 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.625 1.17 . . . . 0.0 112.534 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 124.293 1.037 . . . . 0.0 108.839 -163.375 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -153.15 160.13 42.82 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 168.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m 67.18 160.37 0.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.013 2.125 . . . . 0.0 113.316 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 150.45 47.88 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 126.883 2.073 . . . . 0.0 108.532 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -67.36 135.47 53.28 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 153.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -71.98 -179.22 2.65 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 124.877 1.36 . . . . 0.0 108.462 167.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' HE3' ' A' ' 9' ' ' LYS . 13.5 t0 -88.36 91.8 8.93 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.6 1.56 . . . . 0.0 107.85 -175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 36' ' ' GLN . 13.2 m -115.66 39.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 123.124 1.44 . . . . 0.0 113.064 -167.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HE3' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -106.78 2.05 25.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 -171.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 67.17 157.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.187 2.995 . . . . 0.0 112.366 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.12 -87.67 0.07 Allowed 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.9 m -75.12 130.65 39.61 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 172.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.33 -19.52 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.308 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -45.02 -47.62 2.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 124.967 1.307 . . . . 0.0 109.529 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.596 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -75.83 -40.41 54.91 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 123.7 0.8 . . . . 0.0 111.972 -174.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -69.63 -36.44 76.14 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 122.956 0.502 . . . . 0.0 111.138 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.29 -39.89 88.52 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.609 1.164 . . . . 0.0 110.157 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 t -52.19 -36.53 20.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 123.597 0.759 . . . . 0.0 111.038 175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.29 -48.52 8.44 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 123.35 0.66 . . . . 0.0 110.363 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.37 -11.07 59.97 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.246 0.967 . . . . 0.0 111.657 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.57 ' OE1' HG22 ' A' ' 68' ' ' VAL . 20.2 tt0 -62.35 -23.21 66.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 120.693 -1.255 . . . . 0.0 109.98 164.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.43 -73.38 0.65 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.829 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.07 -40.98 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.178 1.391 . . . . 0.0 113.476 176.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.301 7.5 p 42.02 129.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 130.818 3.647 . . . . 0.0 116.153 174.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -93.57 100.51 12.76 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.995 -1.69 . . . . 0.0 108.341 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -55.67 -37.81 68.78 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.218 1.007 . . . . 0.0 110.278 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 m -79.86 46.56 0.79 Allowed 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.086 1.754 . . . . 0.0 111.248 171.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 t -154.52 159.57 41.03 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.448 1.899 . . . . 0.0 106.942 171.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -20.72 57.88 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 162.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -53.3 -58.31 7.51 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.035 0.934 . . . . 0.0 112.003 -172.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -45.62 -44.92 13.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.706 0.685 . . . . 0.0 111.829 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.0 66.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.049 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -47.04 -43.85 20.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.517 1.527 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.47 -55.38 5.74 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.377 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.3 t -57.97 -39.96 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 O-C-N 123.91 0.756 . . . . 0.0 110.861 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.553 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -75.21 -44.16 47.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 122.712 0.405 . . . . 0.0 111.588 -176.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 HD11 ' A' ' 41' ' ' ILE . 4.8 tt -74.82 -26.63 59.85 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.608 -0.682 . . . . 0.0 109.679 -171.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -48.1 -55.73 9.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.284 1.034 . . . . 0.0 109.937 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.31 -39.47 92.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.687 -0.805 . . . . 0.0 110.35 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.9 -18.99 48.98 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.562 -1.208 . . . . 0.0 111.741 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD11 HD23 ' A' ' 37' ' ' LEU . 6.8 mm -60.58 -62.38 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 120.131 1.332 . . . . 0.0 108.496 170.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -64.52 -35.9 82.46 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.632 1.206 . . . . 0.0 108.492 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.01 9.93 9.1 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.84 2.056 . . . . 0.0 110.73 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.43 -177.97 1.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.225 1.012 . . . . 0.0 111.16 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -87.12 -52.53 5.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.602 0.761 . . . . 0.0 110.636 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -141.09 173.25 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -171.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -50.46 73.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.931 0.892 . . . . 0.0 111.343 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -60.72 -49.59 76.88 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.72 -38.16 80.89 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.34 0.656 . . . . 0.0 110.451 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.71 -43.09 84.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.635 0.774 . . . . 0.0 111.812 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.46 -21.18 16.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 119.225 0.92 . . . . 0.0 111.494 -177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.12 -49.96 30.25 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.08 0.952 . . . . 0.0 108.48 168.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -70.19 -33.22 71.45 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-O 117.356 -1.307 . . . . 0.0 113.326 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.5 ptp -66.82 -40.24 87.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 121.163 1.801 . . . . 0.0 110.278 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.68 -22.39 21.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -81.96 -8.01 59.65 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.283 -1.511 . . . . 0.0 113.236 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -57.01 3.06 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 120.232 1.378 . . . . 0.0 111.38 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 59' ' ' SER . 0.9 OUTLIER -44.62 -47.82 10.44 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.476 1.51 . . . . 0.0 113.698 -162.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.514 ' H ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.95 -28.91 64.83 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 127.926 2.49 . . . . 0.0 109.61 -170.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.02 -52.17 59.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD12 HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -76.85 -39.36 51.46 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.157 -0.928 . . . . 0.0 108.833 -171.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.503 HD11 HG21 ' A' ' 70' ' ' ILE . 3.4 mt -60.44 -41.41 94.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 119.127 0.876 . . . . 0.0 109.595 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 t -75.13 6.56 4.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.684 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.27 -5.49 8.86 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.947 1.249 . . . . 0.0 112.85 168.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.43 -33.95 0.26 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -164.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.76 32.62 56.94 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 120.281 1.4 . . . . 0.0 114.534 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.22 146.37 53.54 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 118.78 1.29 . . . . 0.0 112.514 -177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.57 HG22 ' OE1' ' A' ' 21' ' ' GLN . 16.9 m -85.29 -55.26 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 123.772 0.829 . . . . 0.0 109.937 174.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -83.03 21.25 1.08 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.725 1.61 . . . . 0.0 112.632 -158.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.503 HG21 HD11 ' A' ' 62' ' ' LEU . 8.2 tp -66.14 -15.15 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 O-C-N 120.786 -1.197 . . . . 0.0 112.638 -168.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -94.28 -13.25 26.7 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.028 1.731 . . . . 0.0 111.716 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -50.49 32.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.764 0.711 . . . . 0.0 110.386 -167.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -61.55 -33.85 74.56 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 123.489 0.493 . . . . 0.0 110.602 172.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -60.33 -49.07 79.06 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.273 0.942 . . . . 0.0 108.911 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.52 -9.0 30.31 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.185 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.262 3.1 pt-20 -88.58 -63.78 1.24 Allowed 'General case' 0 C--N 1.343 0.303 0 CA-C-N 120.779 1.627 . . . . 0.0 108.894 166.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -67.08 -21.39 65.88 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.643 1.177 . . . . 0.0 113.065 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.21 -24.91 61.47 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.935 -0.478 . . . . 0.0 110.721 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.8 -30.56 11.63 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 123.368 0.667 . . . . 0.0 112.249 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -63.08 -15.81 57.86 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.716 -0.615 . . . . 0.0 111.634 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -30.71 16.03 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.0 112.795 167.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.48 -23.87 56.87 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.326 1.45 . . . . 0.0 111.317 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.7 t -64.3 -19.22 65.28 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 126.343 1.857 . . . . 0.0 111.402 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.3 mt -75.73 -5.1 44.05 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 124.486 1.115 . . . . 0.0 113.189 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.246 0.874 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 -160.104 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.352 0 N-CA-C 108.201 -1.96 . . . . 0.0 108.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -137.26 -7.2 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 118.09 -0.957 . . . . 0.0 112.753 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m 45.9 -77.46 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.523 2.329 . . . . 0.0 115.104 -172.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 144.72 0.08 Allowed 'General case' 0 C--O 1.237 0.428 1 C-N-CA 132.528 4.331 . . . . 0.0 110.442 -165.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.9 ptm -63.44 97.6 0.14 Allowed 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -76.53 32.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.788 1.635 . . . . 0.0 111.965 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 48.54 83.45 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 128.309 2.644 . . . . 0.0 109.061 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.36 42.93 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.473 1.109 . . . . 0.0 111.945 -169.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 38.53 0.89 Allowed 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.8 -1.188 . . . . 0.0 110.484 -169.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' HD21 ' A' ' 16' ' ' LEU . 5.6 m 55.68 -66.35 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 128.972 2.909 . . . . 0.0 113.068 -168.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.271 3.2 p 75.55 -164.96 0.07 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 128.098 2.559 . . . . 0.0 110.66 -175.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -43.44 112.76 0.41 Allowed 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 130.244 3.418 . . . . 0.0 109.942 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 m -51.92 -17.8 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 124.757 1.223 . . . . 0.0 113.969 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.65 -47.59 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 125.49 1.516 . . . . 0.0 109.89 172.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -82.84 -44.28 15.65 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.478 HD21 ' O ' ' A' ' 10' ' ' CYS . 4.1 mm? -56.74 -43.54 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.859 -0.526 . . . . 0.0 110.536 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -58.88 -26.41 64.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.395 1.078 . . . . 0.0 111.898 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.32 -39.22 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 119.981 1.264 . . . . 0.0 109.905 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -40.65 17.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.044 0.838 . . . . 0.0 109.906 -177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -68.85 -15.21 63.44 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.51 1.524 . . . . 0.0 111.859 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.07 -37.05 68.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 109.531 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 67' ' ' ALA . 3.0 mm? -96.09 -86.19 0.32 Allowed 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -168.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 175.26 27.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.704 1.602 . . . . 0.0 112.224 -166.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.32 148.2 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.377 -174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -97.1 112.5 24.25 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -49.77 -42.52 46.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.766 1.626 . . . . 0.0 109.704 166.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.5 p -80.05 39.5 0.44 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.961 -1.087 . . . . 0.0 112.345 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.8 t -138.82 151.45 47.04 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 162.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.28 7.53 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 168.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 61' ' ' LEU . 1.7 tm? -54.81 -42.43 71.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.799 0.727 . . . . 0.0 110.977 -172.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -54.3 -47.79 72.02 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.451 0.701 . . . . 0.0 111.765 170.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 -36.78 52.11 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 -168.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -43.67 -45.06 6.78 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 124.733 1.213 . . . . 0.0 111.3 171.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.1 t -71.8 -49.78 35.63 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.114 -171.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -62.65 -39.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.7 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.402 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -72.0 -43.84 64.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.542 1.064 . . . . 0.0 109.729 -173.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' HE21 ' A' ' 36' ' ' GLN . 0.8 OUTLIER -59.65 -31.71 69.78 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.02 0.928 . . . . 0.0 111.176 -178.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -56.43 -49.38 74.74 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.043 0.937 . . . . 0.0 110.681 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -58.47 -45.84 87.83 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.5 -5.18 18.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.188 1.395 . . . . 0.0 112.621 -165.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 mm -78.09 -48.29 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.731 2.012 . . . . 0.0 108.683 168.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.0 mt -72.79 -24.39 60.92 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.372 1.069 . . . . 0.0 111.202 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -91.48 1.98 56.75 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.769 0.828 . . . . 0.0 111.401 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.77 178.89 2.4 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.966 0.906 . . . . 0.0 113.397 -166.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -78.36 -86.12 0.07 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 170.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -105.07 179.29 4.31 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 125.038 1.335 . . . . 0.0 108.749 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.7 m -58.51 -58.87 6.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 122.729 0.411 . . . . 0.0 110.72 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 t -55.94 -47.85 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.86 0.864 . . . . 0.0 108.849 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.11 -19.17 61.84 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.621 0.769 . . . . 0.0 111.09 -175.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.93 -69.76 0.26 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 167.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -71.85 -21.31 61.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.844 -170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.91 -38.32 35.47 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.716 1.144 . . . . 0.0 112.196 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -82.52 -27.79 31.5 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.021 -1.049 . . . . 0.0 113.235 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.82 -37.87 87.4 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.611 1.551 . . . . 0.0 110.124 171.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.72 -27.46 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 109.672 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -1.76 24.18 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 171.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 58' ' ' LEU 0.292 0.2 OUTLIER -115.12 -25.6 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 168.22 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -63.66 3.03 0.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 O-C-N 119.597 -1.94 . . . . 0.0 115.499 -174.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -123.66 -51.57 1.82 Allowed 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 126.394 1.878 . . . . 0.0 108.255 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -49.39 -32.56 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.382 1.873 . . . . 0.0 113.098 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 30' ' ' LEU . 5.3 mt -90.49 -43.02 10.52 Favored 'General case' 0 CA--C 1.505 -0.757 0 C-N-CA 125.738 1.615 . . . . 0.0 110.121 -176.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD11 HG21 ' A' ' 70' ' ' ILE . 4.2 mt -65.53 -35.25 80.32 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.74 19.11 0.87 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.935 1.294 . . . . 0.0 110.54 173.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.24 -23.47 4.16 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.09 -1.631 . . . . 0.0 112.383 162.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -139.22 -25.46 0.85 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 119.146 3.017 . . . . 0.0 119.146 -162.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.46 53.26 5.17 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-N 120.24 1.382 . . . . 0.0 114.502 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -96.04 170.87 8.98 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.582 1.691 . . . . 0.0 111.727 174.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -121.23 -36.26 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.22 1.008 . . . . 0.0 113.483 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -76.61 15.74 0.59 Allowed 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.81 -1.182 . . . . 0.0 112.728 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 62' ' ' LEU . 8.5 tp -63.65 -29.49 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 124.992 1.317 . . . . 0.0 111.12 -168.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -90.01 -6.96 55.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.392 1.077 . . . . 0.0 112.569 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -59.02 3.52 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.072 1.305 . . . . 0.0 109.739 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -60.3 -22.51 63.25 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.774 -177.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.6 m -58.2 -57.58 12.25 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 119.077 0.853 . . . . 0.0 109.48 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.41 -19.22 65.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.252 1.021 . . . . 0.0 112.204 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.99 -68.53 0.45 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.764 0.826 . . . . 0.0 109.978 169.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.408 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.0 ptt? -75.61 -18.62 59.65 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -163.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -52.23 50.6 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 119.137 0.88 . . . . 0.0 108.955 162.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.22 -39.41 90.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.292 0.568 . . . . 0.0 111.007 -173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -63.85 -18.84 64.55 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 117.387 -1.292 . . . . 0.0 111.844 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -42.34 11.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 121.051 1.751 . . . . 0.0 111.073 166.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.55 73.73 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.323 1.449 . . . . 0.0 112.456 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.5 t -66.98 -26.17 66.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.035 -170.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.49 1.79 40.04 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.251 1.02 . . . . 0.0 112.593 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.396 -174.451 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.805 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -144.95 126.95 15.52 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 171.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -132.7 153.68 50.91 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.428 1.091 . . . . 0.0 110.344 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 142.73 50.58 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.708 -0.663 . . . . 0.0 109.878 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.9 mtp 59.11 174.02 0.07 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 126.643 1.977 . . . . 0.0 114.77 171.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 m -143.46 24.65 1.73 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 154.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.68 53.7 0.89 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 124.644 2.164 . . . . 0.0 109.79 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.02 79.63 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 127.273 2.229 . . . . 0.0 107.05 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 1.84 18.09 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 p 50.95 177.54 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 129.268 3.027 . . . . 0.0 113.025 -171.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t 177.81 170.34 0.67 Allowed 'General case' 0 C--O 1.239 0.512 0 C-N-CA 129.084 2.954 . . . . 0.0 107.018 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m 43.83 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.655 2.382 . . . . 0.0 113.493 160.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -49.46 -22.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 116.591 -1.671 . . . . 0.0 114.912 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -46.02 -39.61 3.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 120.381 1.446 . . . . 0.0 111.787 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.47 -57.29 4.29 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.961 1.255 . . . . 0.0 110.338 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.5 -38.77 88.54 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.323 -0.86 . . . . 0.0 113.0 -164.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.74 -37.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.636 1.574 . . . . 0.0 111.123 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 t -57.27 -38.75 63.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 119.934 1.243 . . . . 0.0 111.676 174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -86.72 -46.02 10.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.996 0.817 . . . . 0.0 110.535 -171.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.06 -24.58 67.75 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.786 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' HB3' HD22 ' A' ' 22' ' ' LEU . 15.3 tt0 -51.62 -29.28 17.03 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.098 1.359 . . . . 0.0 111.004 172.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.743 HD23 HE21 ' A' ' 65' ' ' GLN . 2.5 mm? -102.92 -87.73 0.41 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.129 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.9 25.98 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.377 0.99 . . . . 0.0 112.716 -166.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.48 155.23 4.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.108 0 C-N-CA 125.769 1.628 . . . . 0.0 112.367 -170.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -118.47 109.5 16.3 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.187 1.395 . . . . 0.0 109.26 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -56.13 -31.99 63.82 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.935 0.894 . . . . 0.0 111.091 166.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -71.77 15.99 0.13 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.759 2.024 . . . . 0.0 113.305 174.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -137.73 160.98 37.74 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 120.163 1.347 . . . . 0.0 109.031 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -26.63 58.86 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 173.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.27 -43.07 87.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 123.048 0.539 . . . . 0.0 111.754 -171.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.6 t90 -55.62 -38.2 69.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.931 0.787 . . . . 0.0 111.171 172.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -26.1 48.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.329 -0.857 . . . . 0.0 112.158 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -55.93 -21.84 22.84 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.445 1.098 . . . . 0.0 112.444 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -33.5 7.69 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 118.997 -0.525 . . . . 0.0 111.711 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.25 -72.91 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 119.122 0.874 . . . . 0.0 109.622 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.97 70.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.882 1.219 . . . . 0.0 110.799 -177.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 HD23 ' A' ' 57' ' ' LEU . 7.3 tp -77.01 -8.67 57.82 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.298 -174.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -79.5 -46.23 17.81 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 119.212 0.914 . . . . 0.0 110.005 164.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -63.58 -44.44 94.06 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.89 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -54.04 -29.74 45.13 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.497 1.519 . . . . 0.0 111.23 -170.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.7 mm -57.07 -63.81 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 128.723 2.809 . . . . 0.0 110.375 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.3 -3.96 30.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.016 0.926 . . . . 0.0 110.642 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.52 3.76 11.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 129.169 2.988 . . . . 0.0 110.426 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.79 178.64 3.0 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.264 1.026 . . . . 0.0 111.874 -170.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -64.82 -70.19 0.24 Allowed 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -133.76 171.58 13.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 m -49.82 -54.77 17.27 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.384 1.473 . . . . 0.0 111.937 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -65.2 -40.06 93.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -168.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.56 -21.2 49.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.914 0.886 . . . . 0.0 111.636 -178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -69.48 0.26 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.681 1.192 . . . . 0.0 109.535 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -19.66 63.95 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.046 -171.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -30.56 5.21 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.55 1.94 . . . . 0.0 114.82 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -26.7 16.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.845 0.748 . . . . 0.0 112.743 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 ttm -60.14 -52.62 64.55 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.972 1.309 . . . . 0.0 110.419 173.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.3 m -64.81 -11.0 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 120.952 -1.093 . . . . 0.0 113.793 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.1 m -108.11 9.16 28.35 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 126.34 1.856 . . . . 0.0 111.354 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 58' ' ' LEU . 2.9 pp -115.25 -42.39 3.18 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.21 1.368 . . . . 0.0 110.282 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.3 pt? -59.36 -30.99 68.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 119.218 0.917 . . . . 0.0 111.902 -170.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 58' ' ' LEU . 28.9 t -74.18 -38.82 63.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 108.463 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.39 -50.07 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.036 1.734 . . . . 0.0 109.177 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.21 -59.17 5.83 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 124.058 0.943 . . . . 0.0 108.799 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' A' ' 67' ' ' ALA . 8.1 mp -65.35 -29.45 70.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.392 -0.814 . . . . 0.0 110.896 -171.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.1 t -77.13 13.98 1.0 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.081 0.855 . . . . 0.0 112.117 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -18.16 2.81 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.6 1.091 . . . . 0.0 112.931 169.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.743 HE21 HD23 ' A' ' 22' ' ' LEU 0.252 6.8 pt20 -128.57 -70.98 0.66 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.496 -172.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.58 49.95 0.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -165.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB3' HD11 ' A' ' 62' ' ' LEU . . . -82.09 165.34 20.67 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.08 -39.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 123.742 0.817 . . . . 0.0 112.068 -176.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -79.43 11.54 2.94 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.779 -0.575 . . . . 0.0 111.572 -171.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.8 tp -66.16 -20.33 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.82 1.248 . . . . 0.0 111.633 -173.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.52 -13.2 46.65 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 112.28 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -68.78 -61.53 1.77 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 120.426 1.466 . . . . 0.0 110.291 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.61 ' H ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.82 -29.06 64.63 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.085 -176.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 93.9 m -61.34 -50.79 71.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -75.55 -9.64 58.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.256 1.022 . . . . 0.0 111.353 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -72.85 0.2 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.671 -1.268 . . . . 0.0 107.974 156.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -61.43 -28.87 69.57 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 -167.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -67.78 -54.71 17.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 119.949 1.25 . . . . 0.0 111.0 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.11 -32.99 74.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.951 0.405 . . . . 0.0 110.272 176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.41 -23.88 67.59 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -91.41 -31.08 16.16 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.201 1.364 . . . . 0.0 111.182 171.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.6 -31.2 70.21 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.033 1.333 . . . . 0.0 110.275 -173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -68.65 -9.72 51.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.923 1.689 . . . . 0.0 111.308 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.6 mt -86.36 2.55 47.07 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 121.139 -0.976 . . . . 0.0 111.51 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 124.109 0.964 . . . . 0.0 109.511 -167.095 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . 0.294 4.0 p-80 48.31 33.35 3.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.359 1.863 . . . . 0.0 112.592 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.73 -45.89 13.86 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.847 1.259 . . . . 0.0 111.145 -170.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.71 -34.71 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -172.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.0 ptm 176.09 121.97 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 126.559 1.943 . . . . 0.0 107.485 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -94.23 55.27 2.0 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.936 0.874 . . . . 0.0 109.92 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t0 73.41 38.9 0.62 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.106 2.162 . . . . 0.0 115.019 165.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.0 m -95.99 75.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 123.634 1.683 . . . . 0.0 112.029 -162.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 1.7 pttt -95.83 89.96 5.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 126.865 2.066 . . . . 0.0 110.506 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 16' ' ' LEU . 18.7 p -64.65 130.37 43.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.431 1.11 . . . . 0.0 111.436 -173.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -142.68 166.08 25.63 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 127.573 2.349 . . . . 0.0 106.3 -174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m 44.45 107.56 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.03 2.532 . . . . 0.0 115.521 169.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.78 -20.73 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 119.906 -1.746 . . . . 0.0 113.248 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.9 -37.88 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.39 1.076 . . . . 0.0 111.846 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -81.49 -54.09 5.73 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 120.06 1.3 . . . . 0.0 108.787 176.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 10' ' ' CYS . 6.1 mt -68.46 -39.54 81.38 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.462 1.905 . . . . 0.0 112.172 -158.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.1 t -55.05 -48.5 73.37 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 125.696 1.598 . . . . 0.0 109.462 172.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG11 HD12 ' A' ' 70' ' ' ILE . 94.7 t -59.97 -23.26 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.282 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -87.85 -48.72 7.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.336 1.426 . . . . 0.0 110.309 178.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -70.6 -17.99 62.89 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.994 0.918 . . . . 0.0 112.871 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -58.51 -23.52 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.468 1.507 . . . . 0.0 111.291 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.698 HD23 HE21 ' A' ' 65' ' ' GLN . 1.9 mm? -108.61 -80.84 0.57 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.905 0.775 . . . . 0.0 109.804 -173.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.9 26.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 126.545 1.938 . . . . 0.0 112.446 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -53.56 153.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.155 0 CA-C-O 122.522 1.153 . . . . 0.0 110.85 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -108.68 112.24 24.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -60.06 -30.73 69.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.83 0.452 . . . . 0.0 110.165 170.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.5 t -70.91 23.49 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.891 1.676 . . . . 0.0 112.899 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.8 t -133.13 157.18 45.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 120.479 1.49 . . . . 0.0 109.188 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -20.34 48.47 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.608 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 61' ' ' LEU . 1.9 tm? -58.42 -52.76 64.27 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 118.267 0.485 . . . . 0.0 110.925 -174.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -54.36 -35.94 63.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.602 -0.686 . . . . 0.0 111.215 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.91 -31.44 45.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -49.8 -49.1 49.98 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 125.792 1.637 . . . . 0.0 108.494 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.22 -42.67 54.94 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.037 -172.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -54.58 -59.92 1.89 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.22 1.408 . . . . 0.0 109.99 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -44.42 82.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 119.349 0.977 . . . . 0.0 111.326 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.64 -27.86 66.38 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.38 -0.825 . . . . 0.0 110.962 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.616 ' CD2' HD11 ' A' ' 15' ' ' LEU . 56.3 t-80 -57.22 -49.01 77.35 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.356 0.98 . . . . 0.0 111.177 171.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -57.35 -49.14 77.09 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -61.46 -16.73 49.87 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 117.726 -1.13 . . . . 0.0 112.401 -170.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 ' HG3' ' A' ' 77' ' ' MET . 9.0 mm -64.67 -68.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 170.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.36 -26.42 67.27 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.968 0.907 . . . . 0.0 109.621 -171.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.99 -0.65 57.79 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.941 1.296 . . . . 0.0 110.956 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 170.25 0.63 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.661 0.784 . . . . 0.0 110.883 175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -66.96 0.5 Allowed 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 172.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -125.0 170.54 11.03 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 122.596 1.189 . . . . 0.0 110.45 -165.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.0 m -50.11 -53.03 30.16 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.014 2.126 . . . . 0.0 112.209 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -62.45 -46.15 89.84 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 119.25 -0.98 . . . . 0.0 108.572 -172.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -71.24 -26.25 62.83 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.86 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.82 83.01 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.626 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -102.91 -23.35 13.74 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 119.811 1.187 . . . . 0.0 112.834 -176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.06 -23.68 21.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.747 1.219 . . . . 0.0 113.075 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -34.71 15.76 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 117.659 -1.162 . . . . 0.0 112.952 173.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptp -65.11 -38.57 91.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.0 1.727 . . . . 0.0 111.42 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 58' ' ' LEU . 26.8 m -64.61 -19.88 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 122.183 0.992 . . . . 0.0 112.716 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.2 m -101.38 16.19 26.39 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 128.132 2.573 . . . . 0.0 110.606 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.32 -59.45 1.64 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -64.04 7.44 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.859 2.464 . . . . 0.0 116.569 -167.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -134.92 -19.35 1.78 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.456 2.302 . . . . 0.0 111.064 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 57' ' ' LEU . 8.2 p -70.86 -39.71 75.7 Favored 'Isoleucine or valine' 0 C--N 1.344 0.36 0 O-C-N 119.998 -1.689 . . . . 0.0 109.279 171.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 HD11 ' A' ' 30' ' ' LEU . 1.4 mt -72.07 -42.16 66.56 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 124.079 0.952 . . . . 0.0 109.274 -172.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mt -56.36 -34.47 66.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 14.66 1.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.804 0.841 . . . . 0.0 112.047 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.45 -6.34 4.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.135 1.374 . . . . 0.0 112.739 167.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.698 HE21 HD23 ' A' ' 22' ' ' LEU . 6.5 pt20 -154.31 -28.61 0.12 Allowed 'General case' 0 C--N 1.345 0.376 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -173.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.79 68.29 1.72 Allowed Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.964 1.269 . . . . 0.0 111.852 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.12 175.24 9.11 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.536 1.534 . . . . 0.0 112.476 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -56.66 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 125.17 1.388 . . . . 0.0 114.115 -177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -73.81 16.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.552 2.741 . . . . 0.0 111.987 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD12 HG11 ' A' ' 18' ' ' VAL . 6.0 tp -64.22 -24.43 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.565 1.146 . . . . 0.0 112.112 -174.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -85.8 -10.87 54.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.933 -0.479 . . . . 0.0 111.469 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 -49.41 70.15 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -171.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.04 -33.5 70.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.233 173.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.3 m -69.08 -24.62 64.16 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 119.903 1.229 . . . . 0.0 112.647 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -95.27 -5.69 43.08 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.986 0.812 . . . . 0.0 110.841 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -103.19 -63.88 1.13 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.418 1.087 . . . . 0.0 109.5 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG3' HG21 ' A' ' 41' ' ' ILE . 7.2 ptt? -68.02 -33.53 74.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 120.653 -1.279 . . . . 0.0 112.523 -171.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.45 -30.78 71.81 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.389 -0.819 . . . . 0.0 109.43 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.66 -40.02 30.08 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.159 0.984 . . . . 0.0 110.446 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -67.07 -11.97 58.62 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.748 1.219 . . . . 0.0 113.637 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.21 -30.13 14.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 120.364 1.438 . . . . 0.0 112.124 165.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.12 89.91 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.15 0.98 . . . . 0.0 111.25 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.1 t -61.32 -8.5 3.93 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 129.511 3.124 . . . . 0.0 111.415 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.77 1.04 56.6 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.178 -0.951 . . . . 0.0 112.013 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--O 1.252 1.216 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -157.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.644 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -147.17 143.86 28.53 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -130.9 143.88 51.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.704 1.201 . . . . 0.0 108.9 -174.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 23.59 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 75.11 -179.65 0.18 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.639 1.975 . . . . 0.0 110.72 -157.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.95 168.09 23.18 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 126.817 2.047 . . . . 0.0 108.062 -175.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.43 62.8 4.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.13 1.443 . . . . 0.0 109.849 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 36' ' ' GLN . 3.1 t -97.3 66.45 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 127.448 2.299 . . . . 0.0 111.185 -168.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -2.55 27.6 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.194 -0.941 . . . . 0.0 113.429 -174.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HD11 ' A' ' 16' ' ' LEU . 73.7 m 48.33 52.23 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.757 1.265 . . . . 0.0 110.794 -171.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -59.52 168.5 1.58 Allowed 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.495 1.918 . . . . 0.0 108.025 151.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.37 97.84 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.411 2.685 . . . . 0.0 113.6 166.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 m -55.22 -18.81 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 120.483 -1.386 . . . . 0.0 114.489 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.27 -27.51 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.019 0.827 . . . . 0.0 110.91 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.581 HD12 HD13 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -77.96 -50.04 12.93 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 124.202 1.953 . . . . 0.0 108.906 174.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 10' ' ' CYS . 3.2 mt -64.2 -40.64 96.51 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 128.126 2.571 . . . . 0.0 110.172 -165.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -59.45 -44.07 93.03 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.952 1.301 . . . . 0.0 109.231 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.38 -17.86 23.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.488 1.115 . . . . 0.0 111.498 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.03 -49.09 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 120.165 -1.584 . . . . 0.0 109.702 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.419 HE21 ' C ' ' A' ' 16' ' ' LEU . 5.7 pt20 -67.71 -18.73 65.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.887 177.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -51.34 -30.79 19.69 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 125.111 1.364 . . . . 0.0 111.008 172.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD21 ' HB2' ' A' ' 67' ' ' ALA . 2.7 mm? -114.95 -87.2 0.59 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.801 -164.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.51 39.08 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.799 2.44 . . . . 0.0 109.999 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.6 t -55.03 132.66 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 121.334 -0.853 . . . . 0.0 110.711 -173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.05 94.57 0.07 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.632 1.573 . . . . 0.0 108.246 166.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 p -66.81 -4.75 9.96 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 112.073 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 t -95.26 -2.12 50.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.758 1.623 . . . . 0.0 112.326 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.0 m -117.18 163.33 16.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 121.502 1.955 . . . . 0.0 111.638 -171.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -28.2 62.45 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.851 -0.531 . . . . 0.0 111.843 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 30' ' ' LEU . 3.2 tm? -53.9 -49.56 68.32 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 122.581 0.352 . . . . 0.0 110.84 -177.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -52.45 -44.64 65.64 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 122.375 0.27 . . . . 0.0 110.549 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -31.7 71.53 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 118.438 -0.792 . . . . 0.0 111.945 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -58.17 -21.02 45.42 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 120.172 1.351 . . . . 0.0 112.521 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -55.88 3.29 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 165.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.55 -55.06 25.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -168.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.484 ' HB3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -69.35 -21.18 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.6 -0.687 . . . . 0.0 112.071 -178.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -91.3 -19.35 23.06 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.812 -0.555 . . . . 0.0 109.852 -168.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -59.96 -59.36 5.54 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.264 1.026 . . . . 0.0 111.682 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -58.99 -32.73 69.95 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 122.254 -0.279 . . . . 0.0 110.865 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.98 -16.14 49.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.572 -1.204 . . . . 0.0 112.594 -174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.5 mm -77.61 -46.27 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.447 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.6 mm? -68.7 -32.7 72.7 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.487 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.92 -0.02 57.33 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.946 0.499 . . . . 0.0 110.918 -176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 170.42 16.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.155 0.979 . . . . 0.0 111.548 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -71.44 -74.09 0.16 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.301 -171.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -103.44 170.5 7.91 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -60.22 -47.97 83.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.536 1.134 . . . . 0.0 112.096 169.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.0 t -58.7 -42.32 88.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 108.856 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -27.57 57.89 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.673 -0.642 . . . . 0.0 111.329 -174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.98 -62.94 1.37 Allowed 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.205 1.002 . . . . 0.0 109.758 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -20.23 62.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.706 -0.798 . . . . 0.0 111.133 -175.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -53.79 -26.29 23.15 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.109 -0.994 . . . . 0.0 112.556 168.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 17.2 mttm -73.66 -46.6 45.57 Favored 'General case' 0 C--N 1.342 0.276 0 O-C-N 120.727 -1.233 . . . . 0.0 111.797 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.2 ptp -67.54 -37.42 82.67 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.384 0.993 . . . . 0.0 110.907 -173.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 58' ' ' LEU . 96.6 t -65.17 -4.89 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 125.274 1.429 . . . . 0.0 111.237 176.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.0 m -112.43 10.16 19.75 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 125.286 1.434 . . . . 0.0 112.102 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 58' ' ' LEU . 1.9 pp -120.22 -32.9 4.03 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.683 1.583 . . . . 0.0 111.602 171.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -68.61 2.64 2.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.989 1.716 . . . . 0.0 113.66 -170.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -127.57 -15.16 5.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.983 2.513 . . . . 0.0 110.56 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 57' ' ' LEU . 28.8 t -71.06 -61.77 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -37.0 73.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -164.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 70' ' ' ILE . 4.9 mt -63.55 -37.25 86.61 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 122.983 0.513 . . . . 0.0 110.079 -178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.09 18.52 0.64 Allowed 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.236 0.541 . . . . 0.0 111.989 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.47 -1.79 3.12 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.458 -1.258 . . . . 0.0 113.348 165.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -152.31 -25.76 0.17 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 118.124 2.638 . . . . 0.0 118.124 -164.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.62 48.02 52.79 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 120.574 1.534 . . . . 0.0 114.377 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -83.98 174.5 10.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.79 1.295 . . . . 0.0 111.467 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -120.42 -55.34 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -76.74 27.08 0.13 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.383 1.473 . . . . 0.0 112.35 -167.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.478 HG21 HD11 ' A' ' 62' ' ' LEU . 6.2 tp -63.3 -31.28 52.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 O-C-N 120.325 -1.484 . . . . 0.0 109.87 -171.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -75.17 -18.05 60.26 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 123.303 0.641 . . . . 0.0 111.538 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -49.23 69.0 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 120.384 1.447 . . . . 0.0 110.505 -172.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.584 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.4 OUTLIER -60.56 -34.37 74.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.446 -0.312 . . . . 0.0 110.556 172.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.57 -14.11 56.14 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.214 0.915 . . . . 0.0 113.005 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -116.41 22.51 12.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.659 1.584 . . . . 0.0 109.093 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -135.82 -65.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.809 0.844 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.584 ' CE ' HD12 ' A' ' 73' ' ' LEU . 9.7 ptt? -61.57 -27.6 68.74 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 121.234 1.834 . . . . 0.0 112.552 176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.24 -49.88 72.38 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.753 0.821 . . . . 0.0 108.901 171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -61.36 -37.9 85.04 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.724 1.21 . . . . 0.0 112.125 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -66.6 -25.49 66.64 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 117.595 -1.193 . . . . 0.0 111.423 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -34.59 15.31 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.865 1.212 . . . . 0.0 110.837 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -16.14 62.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 t -65.4 -18.46 65.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.612 0.765 . . . . 0.0 110.514 171.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.1 mt -101.97 15.69 28.26 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.267 1.827 . . . . 0.0 110.936 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.178 172.161 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 CA-C-O 120.094 -0.281 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -138.9 132.82 31.01 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.653 1.226 . . . . 0.0 108.523 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -116.24 165.65 12.94 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 126.182 1.793 . . . . 0.0 108.644 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.3 152.92 39.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 167.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.5 ptm -62.58 152.82 33.92 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 123.79 0.681 . . . . 0.0 110.037 170.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -124.78 14.65 8.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.174 1.39 . . . . 0.0 110.823 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 60.78 0.74 Allowed 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.378 1.471 . . . . 0.0 109.922 175.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.98 88.65 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 -161.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 3.1 10.23 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -167.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.276 1.6 p 68.37 167.58 0.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.765 2.826 . . . . 0.0 111.3 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -172.98 -67.35 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.88 1.272 . . . . 0.0 108.521 -171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' HG12 ' A' ' 14' ' ' VAL . 20.4 m -113.17 134.2 54.68 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 126.702 2.001 . . . . 0.0 106.245 -167.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -75.82 -20.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 121.787 -0.571 . . . . 0.0 111.509 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 73' ' ' LEU . 9.8 p -49.84 -33.77 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 127.024 2.13 . . . . 0.0 112.285 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD23 HG13 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -77.95 -54.6 6.12 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.083 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' CD2' ' HE1' ' A' ' 31' ' ' TRP . 1.4 mt -76.55 -41.12 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 127.083 2.153 . . . . 0.0 112.78 -161.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -62.18 -36.02 80.6 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 123.841 0.856 . . . . 0.0 109.832 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.3 t -65.6 -27.08 40.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 O-C-N 121.043 -1.036 . . . . 0.0 109.699 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -45.02 17.61 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 120.221 1.373 . . . . 0.0 108.518 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.5 -8.55 48.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.013 2.125 . . . . 0.0 112.414 176.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -67.6 -32.58 73.41 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.396 0.998 . . . . 0.0 110.221 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD23 HE21 ' A' ' 65' ' ' GLN . 2.1 mm? -105.48 -85.75 0.48 Allowed 'General case' 0 C--N 1.344 0.33 0 CA-C-N 118.509 0.595 . . . . 0.0 110.229 -165.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.6 35.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.176 1.79 . . . . 0.0 111.182 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 t -52.28 147.27 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -170.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.83 88.61 1.03 Allowed 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.209 -1.814 . . . . 0.0 108.288 165.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 p -66.69 -33.27 75.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -74.06 29.76 0.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.661 1.184 . . . . 0.0 112.066 172.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -150.41 171.1 17.57 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.023 -1.673 . . . . 0.0 110.962 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -26.41 62.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.472 175.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.2 tm? -58.71 -56.55 20.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.068 -0.491 . . . . 0.0 109.708 -169.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.411 ' HE1' ' CD2' ' A' ' 16' ' ' LEU . 50.0 t90 -50.75 -37.75 43.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.705 0.684 . . . . 0.0 112.331 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.66 60.28 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 116.711 -1.614 . . . . 0.0 113.388 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -45.18 -43.59 10.17 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 120.488 1.495 . . . . 0.0 109.434 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.36 -54.35 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.127 0.892 . . . . 0.0 110.791 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.46 -25.39 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.731 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -44.35 15.92 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 120.401 1.455 . . . . 0.0 110.452 172.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -80.48 -12.06 59.59 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.649 -0.657 . . . . 0.0 111.477 -167.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -59.21 -57.11 14.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.066 0.936 . . . . 0.0 109.835 167.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -37.18 83.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -167.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -23.7 4.73 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 125.734 1.614 . . . . 0.0 112.49 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.07 -64.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.11 -33.81 72.63 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.338 1.055 . . . . 0.0 109.295 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -86.93 -0.63 56.88 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.943 1.697 . . . . 0.0 111.703 -176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.46 170.69 1.29 Allowed 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.377 1.071 . . . . 0.0 112.621 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -62.52 -56.89 13.76 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.087 172.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -136.31 178.24 7.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.071 0.949 . . . . 0.0 110.89 -163.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 m -55.62 -61.89 2.05 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.258 1.423 . . . . 0.0 111.436 173.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 t -65.04 -46.2 82.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -171.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -64.44 -20.77 66.37 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.807 2.043 . . . . 0.0 112.109 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.81 -52.46 43.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 118.391 0.541 . . . . 0.0 110.41 169.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -84.87 -24.22 28.64 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.184 -0.948 . . . . 0.0 111.6 -174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.98 -18.72 59.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.643 1.177 . . . . 0.0 113.482 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.67 -33.7 14.96 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.896 -1.127 . . . . 0.0 112.193 169.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptp -68.46 -31.38 70.63 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.965 1.257 . . . . 0.0 112.408 -174.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -66.5 -32.09 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.495 1.518 . . . . 0.0 110.525 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.0 m -85.86 1.63 49.08 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.514 -1.366 . . . . 0.0 111.626 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.67 -46.23 6.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.12 1.768 . . . . 0.0 112.194 166.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.99 2.4 5.72 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 118.963 -2.336 . . . . 0.0 117.19 -167.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -114.36 -33.85 5.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.789 1.177 . . . . 0.0 110.737 172.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.97 -30.37 43.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 O-C-N 121.441 -0.787 . . . . 0.0 112.885 -172.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD12 HD11 ' A' ' 30' ' ' LEU . 2.3 mm? -70.66 -46.28 63.53 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.198 0.908 . . . . 0.0 108.734 170.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.3 -38.01 76.2 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 121.944 -0.473 . . . . 0.0 111.715 -175.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.2 t -63.92 -5.18 4.07 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.674 1.59 . . . . 0.0 112.07 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 -3.35 6.99 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.608 1.163 . . . . 0.0 113.028 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.761 HE21 HD23 ' A' ' 22' ' ' LEU . 7.3 pt20 -154.35 -16.47 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.84 59.61 8.47 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 120.019 1.281 . . . . 0.0 113.269 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.6 178.35 2.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.711 0.804 . . . . 0.0 111.633 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 m -113.34 -62.52 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-O 118.75 -0.643 . . . . 0.0 112.154 170.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -66.97 20.74 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.423 3.089 . . . . 0.0 114.531 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.8 tp -69.26 -23.15 26.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 O-C-N 120.611 -1.306 . . . . 0.0 110.924 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -81.98 -18.51 43.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 118.809 0.731 . . . . 0.0 109.058 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -29.74 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.704 -1.247 . . . . 0.0 110.761 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 14' ' ' VAL . 1.5 mp -53.09 -57.17 11.32 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.161 1.384 . . . . 0.0 110.459 171.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 3.3 p -52.8 -48.72 66.7 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.98 5.52 11.47 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 118.516 -1.274 . . . . 0.0 111.985 -172.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -107.96 -85.71 0.52 Allowed 'General case' 0 C--N 1.339 0.139 0 C-N-CA 125.747 1.619 . . . . 0.0 109.001 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE1' HD23 ' A' ' 73' ' ' LEU . 11.5 ptt? -59.84 -25.06 64.7 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.39 1.076 . . . . 0.0 113.347 -175.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -46.58 32.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.657 -1.277 . . . . 0.0 109.12 176.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.32 -37.43 83.24 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.863 0.865 . . . . 0.0 110.05 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -77.45 -20.61 54.2 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 125.949 1.7 . . . . 0.0 113.305 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -36.92 24.66 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 121.812 2.096 . . . . 0.0 108.903 166.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.03 -1.41 12.03 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.214 1.406 . . . . 0.0 114.163 -173.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.492 HG23 HD12 ' A' ' 84' ' ' LEU . 4.9 t -96.64 -20.72 18.09 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.554 0.615 . . . . 0.0 111.648 178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD12 HG23 ' A' ' 83' ' ' THR . 10.1 mp -78.63 -6.01 54.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.803 -1.811 . . . . 0.0 115.032 -176.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.855 0 C-N-CA 124.031 0.932 . . . . 0.0 111.018 -156.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.695 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -157.87 -46.49 0.06 Allowed 'General case' 0 C--N 1.332 -0.166 0 O-C-N 121.626 -0.926 . . . . 0.0 108.636 168.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -75.1 169.92 17.06 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.807 0.843 . . . . 0.0 111.18 172.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 57.45 115.98 0.01 OUTLIER 'General case' 0 C--O 1.234 0.275 0 C-N-CA 126.905 2.082 . . . . 0.0 109.945 -166.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -43.77 -38.77 3.39 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.047 0.939 . . . . 0.0 111.423 169.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m 66.9 170.72 0.25 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.518 1.927 . . . . 0.0 109.019 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -86.91 61.62 6.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.842 1.305 . . . . 0.0 109.316 -164.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -98.28 82.81 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 126.776 2.03 . . . . 0.0 107.966 -157.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.1 26.81 8.78 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.2 p 44.92 35.8 1.66 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.281 2.232 . . . . 0.0 113.871 173.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -55.62 127.29 29.18 Favored 'General case' 0 N--CA 1.432 -1.332 0 C-N-CA 128.075 2.55 . . . . 0.0 105.729 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 m 54.67 110.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 129.876 3.27 . . . . 0.0 115.093 172.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -20.04 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 O-C-N 120.334 -1.479 . . . . 0.0 114.462 174.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.3 t -45.32 -43.74 3.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 124.493 1.117 . . . . 0.0 109.224 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -83.27 -44.74 14.61 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.091 0.957 . . . . 0.0 113.038 178.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -41.28 80.35 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 119.279 0.945 . . . . 0.0 111.179 -175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -34.21 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 117.268 -1.349 . . . . 0.0 112.449 174.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 70' ' ' ILE . 3.5 t -66.88 -5.74 3.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 120.555 1.525 . . . . 0.0 111.31 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -114.82 -37.87 4.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 120.949 1.704 . . . . 0.0 110.617 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -69.93 -28.15 65.35 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.142 1.777 . . . . 0.0 111.45 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -61.14 -18.61 58.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.828 1.251 . . . . 0.0 110.622 171.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 22' ' ' LEU . 2.7 mm? -107.45 -86.66 0.49 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 117.509 -1.234 . . . . 0.0 109.786 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.88 28.77 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.486 1.914 . . . . 0.0 113.511 -175.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -51.72 149.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 124.25 1.02 . . . . 0.0 109.689 -176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -102.0 127.07 49.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 172.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -52.35 -48.55 65.46 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.094 1.358 . . . . 0.0 110.556 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -70.25 31.89 0.04 OUTLIER 'General case' 0 C--O 1.238 0.459 0 C-N-CA 129.852 3.261 . . . . 0.0 113.716 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -140.56 141.22 35.25 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.931 1.292 . . . . 0.0 108.348 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -24.54 16.15 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.46 -40.23 78.05 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 125.1 1.36 . . . . 0.0 111.592 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -58.02 -37.38 74.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.613 0.244 . . . . 0.0 111.282 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.66 -29.11 27.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -55.33 -21.96 17.16 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.668 1.587 . . . . 0.0 114.17 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.6 -50.1 3.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.05 -64.25 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.969 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -31.39 72.49 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.958 1.254 . . . . 0.0 111.685 -171.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -20.91 62.26 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 121.615 -0.678 . . . . 0.0 110.86 -177.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -58.65 -59.11 5.92 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.779 0.718 . . . . 0.0 110.823 174.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -64.23 -27.88 69.36 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.8 -0.563 . . . . 0.0 111.743 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -62.29 -12.32 20.11 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.638 -1.173 . . . . 0.0 111.843 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mm -80.71 -46.78 21.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 121.46 1.936 . . . . 0.0 106.02 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.1 mm? -72.95 -10.12 59.45 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.304 1.042 . . . . 0.0 111.506 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mp -111.24 11.6 21.75 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.085 1.354 . . . . 0.0 110.653 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.64 176.7 4.6 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.087 -1.008 . . . . 0.0 112.043 173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -85.79 -84.69 0.16 Allowed 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.396 1.478 . . . . 0.0 109.394 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 49' ' ' GLU . 49.9 m-20 -79.65 173.7 12.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.4 m -69.74 -48.63 58.69 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.468 167.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 t -55.41 -47.82 75.31 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 15.1 tt0 -76.49 2.58 13.37 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.705 -0.622 . . . . 0.0 111.938 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.14 -62.22 1.57 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 108.699 164.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -70.32 -23.24 62.8 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.051 -1.031 . . . . 0.0 111.631 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.91 -16.53 18.06 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.852 -1.155 . . . . 0.0 113.469 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.99 -24.42 14.93 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 120.578 1.535 . . . . 0.0 112.373 169.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.8 ptp -69.14 -37.05 78.08 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 121.234 1.834 . . . . 0.0 110.947 173.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.01 -14.53 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-O 121.729 0.775 . . . . 0.0 110.118 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.1 m -78.27 3.61 14.96 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 119.829 -1.795 . . . . 0.0 112.809 167.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.42 -50.8 2.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 121.577 1.989 . . . . 0.0 113.739 -169.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -63.43 6.96 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.978 1.711 . . . . 0.0 115.172 178.082 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -133.77 7.65 3.79 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 126.53 1.932 . . . . 0.0 112.847 170.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.72 -22.19 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 119.811 -1.806 . . . . 0.0 113.365 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' C ' ' A' ' 61' ' ' LEU 0.267 0.0 OUTLIER -111.36 -36.6 5.51 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.292 1.437 . . . . 0.0 110.665 -172.106 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -22.96 66.61 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.333 1.453 . . . . 0.0 111.223 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -64.63 -32.58 74.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.982 2.913 . . . . 0.0 108.162 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -88.99 -0.71 57.65 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.209 -0.901 . . . . 0.0 112.358 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.493 ' HG3' ' H ' ' A' ' 66' ' ' GLY . 2.5 pt20 -146.03 -85.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.855 1.207 . . . . 0.0 113.269 -167.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.493 ' H ' ' HG3' ' A' ' 65' ' ' GLN . . . 120.67 92.89 1.31 Allowed Glycine 0 C--N 1.341 0.845 0 C-N-CA 126.035 1.778 . . . . 0.0 111.653 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.6 176.12 7.08 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.707 1.603 . . . . 0.0 112.587 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.78 -34.67 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.95 24.35 12.92 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.29 -1.506 . . . . 0.0 110.147 -166.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.443 ' CD1' HG11 ' A' ' 18' ' ' VAL . 9.1 tp -61.43 -28.28 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 123.077 1.417 . . . . 0.0 111.297 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -75.76 -15.14 60.31 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.989 1.715 . . . . 0.0 111.111 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -40.85 54.08 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 120.492 -1.38 . . . . 0.0 110.493 -175.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.37 -31.76 72.23 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.92 171.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 75.7 m -59.07 -57.59 12.38 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.524 1.057 . . . . 0.0 110.084 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.38 -16.84 63.04 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.363 1.04 . . . . 0.0 111.818 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -73.25 -72.24 0.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.024 0.829 . . . . 0.0 108.92 167.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -68.32 -21.42 64.75 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 120.015 -1.678 . . . . 0.0 113.958 -164.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -51.56 58.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 119.87 1.214 . . . . 0.0 108.818 170.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.79 -39.81 68.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.26 1.024 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.37 -18.16 65.19 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.128 0.971 . . . . 0.0 112.686 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.93 -28.36 9.65 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 119.708 1.14 . . . . 0.0 111.584 174.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.44 63.27 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 124.529 1.132 . . . . 0.0 111.912 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -65.66 -23.39 66.78 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.763 1.225 . . . . 0.0 109.768 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.8 mt -83.11 12.8 4.66 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.909 1.284 . . . . 0.0 111.616 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 125.368 1.467 . . . . 0.0 107.391 -174.425 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.077 0 CA-C-O 118.304 -1.275 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.81 4.16 0.75 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.84 1.32 . . . . 0.0 114.5 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 m -84.51 129.62 34.83 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 119.213 0.915 . . . . 0.0 111.603 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 112.14 3.65 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 171.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 8' ' ' VAL . 3.0 ptt? 48.89 13.76 0.06 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.781 2.033 . . . . 0.0 114.997 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m 46.97 23.33 0.26 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 126.29 1.836 . . . . 0.0 114.677 -162.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.8 56.82 7.26 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 125.902 2.763 . . . . 0.0 111.306 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 5' ' ' MET . 98.2 t -82.81 88.56 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 171.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.65 10.33 17.98 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.57 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.297 1.8 p 67.41 -49.81 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 129.018 2.927 . . . . 0.0 112.623 -171.128 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.388 0.6 OUTLIER 75.24 -162.08 0.06 Allowed 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.856 1.662 . . . . 0.0 110.385 171.52 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -44.46 127.47 5.91 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 131.232 3.813 . . . . 0.0 109.252 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 m -59.16 -22.34 21.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.83 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -50.02 -31.98 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.543 1.537 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.4 -51.08 6.79 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.825 1.298 . . . . 0.0 108.78 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 10' ' ' CYS . 2.9 mt -62.62 -41.83 99.23 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 113.713 -1.585 . . . . 0.0 108.896 -166.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.5 p -50.87 -39.48 54.03 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.574 1.949 . . . . 0.0 110.893 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.13 -34.72 72.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 C-N-CA 125.716 1.606 . . . . 0.0 111.326 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.21 -44.51 17.69 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 120.765 -1.209 . . . . 0.0 109.577 177.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.91 -29.59 70.54 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.122 1.369 . . . . 0.0 112.19 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' CG ' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -67.85 -9.18 42.5 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.806 1.184 . . . . 0.0 111.567 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 HD22 ' CG ' ' A' ' 21' ' ' GLN . 2.8 mm? -108.93 -86.71 0.51 Allowed 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.21 24.81 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.184 1.394 . . . . 0.0 112.017 -171.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.97 135.73 20.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 119.017 0.826 . . . . 0.0 111.31 -167.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.66 89.17 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 126.381 1.872 . . . . 0.0 108.115 165.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 p -64.18 -17.0 63.1 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.825 0.85 . . . . 0.0 111.104 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 4.61 49.72 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.372 1.869 . . . . 0.0 113.318 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -116.14 158.57 23.02 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.104 1.32 . . . . 0.0 109.099 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -28.02 26.24 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 30' ' ' LEU . 2.5 tm? -51.31 -44.29 61.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.761 0.825 . . . . 0.0 111.473 -175.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.18 -49.35 77.34 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.45 -0.781 . . . . 0.0 111.186 175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -68.6 -34.06 75.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.374 0.67 . . . . 0.0 112.498 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -52.58 -27.69 17.85 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 127.068 2.147 . . . . 0.0 111.349 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -86.81 -54.22 4.48 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 32' ' ' ALA . 13.0 p -64.7 -48.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.999 0.904 . . . . 0.0 111.53 -169.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -27.02 68.69 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.309 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 57' ' ' LEU . 12.3 tp -88.48 -16.63 32.26 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.375 0.67 . . . . 0.0 110.815 -177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.98 -52.94 23.59 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.012 1.325 . . . . 0.0 110.027 170.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.78 -37.8 88.74 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.059 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.06 -3.83 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.886 1.274 . . . . 0.0 111.935 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mm -74.47 -58.68 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 C-N-CA 125.642 1.577 . . . . 0.0 109.194 167.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.8 mt -71.04 -38.72 72.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.301 -0.874 . . . . 0.0 109.539 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.8 10.42 4.14 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.04 1.736 . . . . 0.0 110.851 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.89 170.05 10.42 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 122.489 1.138 . . . . 0.0 112.82 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -62.26 -57.44 11.39 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 127.359 2.264 . . . . 0.0 112.241 170.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -147.49 166.93 25.79 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -173.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.525 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 4.4 m -50.61 -52.03 43.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.835 1.254 . . . . 0.0 112.673 173.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.1 t -63.11 -42.05 99.49 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -172.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.62 -25.36 41.45 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 122.235 -0.29 . . . . 0.0 110.729 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.34 -70.3 0.15 Allowed 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -18.74 61.51 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.015 -165.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.82 -53.95 10.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.322 1.449 . . . . 0.0 111.386 171.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -75.68 -14.88 60.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.404 -0.81 . . . . 0.0 112.68 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -75.4 -48.02 24.79 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 120.429 -1.42 . . . . 0.0 110.501 171.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.5 m -77.5 -13.28 14.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -171.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 p -74.34 -49.72 21.7 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 165.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.593 HD23 HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.69 -26.35 64.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -164.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -56.67 -26.21 55.84 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.172 -1.58 . . . . 0.0 110.586 177.104 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.5 t -91.1 -30.12 16.91 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 126.257 1.823 . . . . 0.0 109.8 -169.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -70.97 -1.26 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-O 121.701 0.762 . . . . 0.0 111.147 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.427 HD23 HD21 ' A' ' 30' ' ' LEU . 23.6 mt -132.64 -57.59 0.94 Allowed 'General case' 0 CA--C 1.5 -0.947 0 C-N-CA 126.693 1.997 . . . . 0.0 110.334 -163.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.32 -29.23 63.78 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.064 0.847 . . . . 0.0 110.068 174.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.6 t -66.02 -43.08 88.67 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 124.045 0.841 . . . . 0.0 109.009 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -18.46 40.71 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.559 1.143 . . . . 0.0 113.086 -174.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -138.23 -23.33 1.01 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 117.462 2.393 . . . . 0.0 117.462 -166.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.56 60.79 8.36 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 119.851 1.205 . . . . 0.0 112.822 -170.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.06 -179.78 7.51 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.891 0.876 . . . . 0.0 110.813 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.67 -51.61 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 123.743 0.817 . . . . 0.0 111.383 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -74.21 13.13 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.437 1.495 . . . . 0.0 113.874 -164.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.75 -25.17 37.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 120.253 -1.53 . . . . 0.0 112.302 -173.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.72 -22.27 54.12 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 117.183 -1.389 . . . . 0.0 111.115 178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.05 -52.2 60.51 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 121.206 1.821 . . . . 0.0 110.357 -167.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.626 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.1 pt? -59.14 -35.11 72.92 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.665 0.386 . . . . 0.0 111.361 172.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 99.2 m -73.38 1.12 10.3 Favored 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 124.438 1.095 . . . . 0.0 113.151 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -117.46 8.69 13.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.585 0.754 . . . . 0.0 110.019 169.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -104.5 -65.84 1.0 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.421 1.488 . . . . 0.0 108.899 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -69.48 -16.23 63.42 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.745 0.818 . . . . 0.0 112.29 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -53.54 16.31 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.52 -39.81 95.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.898 0.856 . . . . 0.0 110.727 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -69.3 -23.69 63.85 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 117.099 -1.429 . . . . 0.0 113.072 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.525 ' CZ ' HG23 ' A' ' 47' ' ' THR . 9.8 ptt85 -74.87 -32.9 62.0 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 122.018 2.19 . . . . 0.0 110.289 168.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.58 -26.24 60.73 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.633 0.773 . . . . 0.0 111.485 -167.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.464 HG23 HD12 ' A' ' 84' ' ' LEU . 7.5 t -64.51 -28.33 69.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.504 0.593 . . . . 0.0 110.862 178.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 83' ' ' THR . 5.1 mp -74.89 -4.82 40.26 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.893 1.277 . . . . 0.0 113.7 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 C--O 1.249 1.076 0 C-N-CA 124.531 1.133 . . . . 0.0 111.01 -166.438 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.874 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -75.13 106.84 6.84 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -129.8 -59.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.999 1.32 . . . . 0.0 109.849 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 114.8 1.28 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.721 1.208 . . . . 0.0 108.544 166.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.276 21.0 ptm 46.62 -163.82 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.92 1.288 . . . . 0.0 112.007 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -147.13 39.16 1.0 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.404 -0.81 . . . . 0.0 110.376 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.24 39.18 7.57 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 123.247 1.499 . . . . 0.0 113.266 173.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG12 ' HB3' ' A' ' 36' ' ' GLN . 16.0 m -86.55 56.76 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.971 1.308 . . . . 0.0 109.871 -164.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 18.06 14.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.131 0.973 . . . . 0.0 113.376 -168.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.0 m 59.36 148.73 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.963 2.905 . . . . 0.0 113.032 -175.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 p -138.18 -84.81 0.29 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.632 -0.668 . . . . 0.0 110.135 -156.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -113.48 134.03 54.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 129.305 3.042 . . . . 0.0 106.359 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.6 -17.24 21.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 CA-C-O 116.787 -1.578 . . . . 0.0 113.418 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 t -44.74 -51.01 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 C-N-CA 124.396 1.079 . . . . 0.0 108.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.42 -47.91 18.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.849 -0.596 . . . . 0.0 110.789 -177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.83 -32.62 67.78 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.788 0.722 . . . . 0.0 112.531 -177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 t -59.41 -39.24 82.84 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.378 1.471 . . . . 0.0 110.208 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.97 -33.66 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 119.731 1.15 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.573 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.5 mm? -78.4 -50.72 11.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.332 -0.855 . . . . 0.0 109.861 -174.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.23 -19.01 63.94 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.721 1.208 . . . . 0.0 112.421 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.94 -2.23 0.22 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 128.083 2.553 . . . . 0.0 111.662 166.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD11 ' NE2' ' A' ' 65' ' ' GLN 0.256 0.0 OUTLIER -125.56 -85.1 0.63 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.023 0.44 . . . . 0.0 111.607 152.676 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.15 -22.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.171 1.388 . . . . 0.0 112.911 -176.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 19' ' ' LEU 0.338 3.1 p 43.88 -174.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 C-N-CA 130.326 3.45 . . . . 0.0 113.669 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' H ' ' CG2' ' A' ' 24' ' ' VAL . 34.4 mt-10 -126.39 105.97 9.16 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 127.705 2.402 . . . . 0.0 108.079 167.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -53.34 -50.2 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.57 1.148 . . . . 0.0 109.088 164.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 m -73.68 69.89 1.33 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.836 1.654 . . . . 0.0 109.777 170.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 t -159.17 169.06 25.0 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 164.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -32.1 68.78 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.0 155.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.7 tm? -56.85 -58.5 7.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.728 0.694 . . . . 0.0 112.08 -167.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -50.7 -38.2 45.64 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 119.146 0.885 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.3 -38.47 56.03 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 118.207 -0.901 . . . . 0.0 112.253 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -45.7 -34.71 3.71 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.899 1.68 . . . . 0.0 111.739 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -59.56 2.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.16 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 10' ' ' CYS . 4.7 p -62.51 -40.5 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 124.099 0.96 . . . . 0.0 112.952 -173.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -63.26 -32.79 74.28 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.166 179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 40' ' ' ASP . 3.0 tt -91.68 -30.92 16.04 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.967 -0.458 . . . . 0.0 110.416 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -51.41 -50.95 58.66 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.854 1.262 . . . . 0.0 109.553 169.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -73.41 -32.41 64.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.142 -1.409 . . . . 0.0 112.432 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 37' ' ' LEU . 4.6 m-20 -59.33 -19.98 50.83 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.406 1.457 . . . . 0.0 111.326 174.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.05 -63.6 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 120.1 1.318 . . . . 0.0 108.544 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.27 -19.46 64.71 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.914 -0.491 . . . . 0.0 110.533 -172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.35 19.04 21.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.254 2.222 . . . . 0.0 110.228 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.94 178.76 1.67 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.93 1.348 . . . . 0.0 111.381 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -77.75 -50.83 11.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.526 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -149.74 170.72 18.08 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.137 1.375 . . . . 0.0 108.302 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -52.72 -52.66 55.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.423 1.489 . . . . 0.0 111.558 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 t -62.16 -43.9 97.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -172.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -71.46 -29.98 65.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.852 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -60.72 3.29 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.198 0.599 . . . . 0.0 109.715 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -74.44 -23.92 58.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 119.255 -0.978 . . . . 0.0 111.034 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.52 -42.94 64.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.746 0.703 . . . . 0.0 110.39 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -45.91 92.13 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 121.286 -0.884 . . . . 0.0 112.004 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.97 -34.49 77.88 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 118.799 0.727 . . . . 0.0 111.035 -172.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.55 -22.72 28.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.5 m -89.9 23.65 2.68 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.071 -1.643 . . . . 0.0 112.831 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.16 -54.86 1.28 Allowed 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.685 -1.259 . . . . 0.0 109.747 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.39 8.25 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.789 2.436 . . . . 0.0 115.121 -170.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.25 -28.16 4.74 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 127.748 2.419 . . . . 0.0 111.468 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.09 -56.15 19.85 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 CA-C-N 119.667 1.121 . . . . 0.0 108.656 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD23 HD11 ' A' ' 30' ' ' LEU . 1.2 mt -61.05 -43.0 99.54 Favored 'General case' 0 CA--C 1.511 -0.534 0 C-N-CA 125.193 1.397 . . . . 0.0 108.107 -172.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 70' ' ' ILE . 4.6 mt -64.84 -36.69 85.16 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.275 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -71.69 -1.22 13.04 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 123.958 0.786 . . . . 0.0 111.961 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.97 -12.66 12.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.246 1.385 . . . . 0.0 112.609 171.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.511 ' NE2' HD11 ' A' ' 22' ' ' LEU . 9.2 pt20 -149.66 -24.01 0.27 Allowed 'General case' 0 C--N 1.344 0.331 0 N-CA-C 117.44 2.385 . . . . 0.0 117.44 -166.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.98 55.53 25.47 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 120.767 1.621 . . . . 0.0 111.724 -170.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . . . -87.76 168.58 12.83 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.174 1.389 . . . . 0.0 109.504 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.5 -45.55 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -163.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.14 19.0 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.715 1.606 . . . . 0.0 113.145 -174.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 62' ' ' LEU . 7.2 tp -63.89 -30.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 120.5 -1.375 . . . . 0.0 113.011 -162.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -81.29 -18.68 45.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.631 1.573 . . . . 0.0 111.418 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -63.21 -53.12 58.12 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.66 1.118 . . . . 0.0 109.405 -171.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -31.63 65.06 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-O 118.587 -0.721 . . . . 0.0 112.824 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.5 m -60.67 -51.7 68.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.033 0.833 . . . . 0.0 109.998 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.99 -6.45 47.46 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.974 0.51 . . . . 0.0 111.925 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.31 -73.36 0.36 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 166.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -59.7 -34.61 73.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -170.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.63 -29.23 69.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.422 1.01 . . . . 0.0 111.618 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.77 -36.93 19.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.346 0.593 . . . . 0.0 110.229 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.21 -24.7 67.77 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.894 0.878 . . . . 0.0 112.447 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -43.98 16.96 Favored 'General case' 0 CA--C 1.523 -0.076 0 CA-C-N 119.079 0.854 . . . . 0.0 110.881 167.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -28.73 70.29 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.464 -0.772 . . . . 0.0 112.716 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.443 HG23 ' HG ' ' A' ' 84' ' ' LEU . 9.7 t -65.27 -18.79 65.59 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.559 1.143 . . . . 0.0 111.09 175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' HG ' HG23 ' A' ' 83' ' ' THR . 88.7 mt -115.43 -5.96 12.29 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.05 -1.656 . . . . 0.0 115.121 -170.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 C-N-CA 128.3 2.64 . . . . 0.0 111.533 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.591 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -85.4 94.87 9.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.445 1.498 . . . . 0.0 109.234 -171.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -74.73 132.8 41.93 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.623 0.769 . . . . 0.0 110.892 -175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' HE3' ' HB2' ' A' ' 5' ' ' MET . 0.0 OUTLIER -123.47 -46.76 2.01 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 117.75 -1.119 . . . . 0.0 113.388 -177.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.472 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -161.4 108.95 1.46 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 119.564 1.074 . . . . 0.0 110.214 -171.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -122.77 36.45 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.173 0.989 . . . . 0.0 111.204 -173.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.79 48.83 20.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 124.155 1.931 . . . . 0.0 112.176 167.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 t -85.32 78.88 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 113.492 -1.686 . . . . 0.0 107.437 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -5.45 23.76 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -177.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.9 m 58.54 149.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.394 2.278 . . . . 0.0 112.814 -167.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -165.58 156.86 14.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.833 1.653 . . . . 0.0 106.936 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t 49.62 174.55 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 127.313 2.245 . . . . 0.0 110.543 -166.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.94 -12.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 O-C-N 120.037 -1.665 . . . . 0.0 109.969 165.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.9 t -55.45 -34.11 33.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.203 1.001 . . . . 0.0 109.35 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.85 -42.85 12.25 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 172.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.1 -34.63 78.5 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.673 1.124 . . . . 0.0 112.275 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -23.28 65.02 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.545 -0.722 . . . . 0.0 112.069 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.97 -27.84 40.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 C-N-CA 124.252 1.021 . . . . 0.0 109.684 167.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -87.13 -48.89 7.69 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 119.869 -1.769 . . . . 0.0 110.116 -169.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.41 -21.12 66.1 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.085 -0.959 . . . . 0.0 112.346 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' HG3' HD22 ' A' ' 22' ' ' LEU . 2.1 pt20 -71.2 -24.74 62.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.12 1.327 . . . . 0.0 111.638 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' HG3' ' A' ' 21' ' ' GLN . 1.4 mm? -117.84 8.34 12.63 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 120.146 1.339 . . . . 0.0 113.614 -175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 71.72 42.92 0.61 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.901 2.08 . . . . 0.0 109.724 160.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.6 t -47.66 148.0 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.929 -171.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -72.06 82.53 0.97 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.5 p -62.65 -10.83 13.73 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.861 1.664 . . . . 0.0 112.181 -176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 m -114.45 14.3 17.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.538 2.335 . . . . 0.0 111.671 -173.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.18 174.67 10.27 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.311 1.444 . . . . 0.0 109.944 -165.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -35.94 62.32 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.676 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -46.3 88.22 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 119.607 -0.837 . . . . 0.0 113.204 -166.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -55.11 -33.57 62.95 Favored 'General case' 0 C--N 1.315 -0.906 0 O-C-N 121.699 -0.626 . . . . 0.0 111.001 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.45 -22.02 30.48 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 172.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -54.48 -24.02 18.66 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.136 1.774 . . . . 0.0 111.509 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.9 t -92.67 -63.02 1.28 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.255 1.022 . . . . 0.0 110.253 172.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.69 -32.04 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 117.882 -1.056 . . . . 0.0 112.352 -153.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -37.98 85.49 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.748 1.158 . . . . 0.0 109.774 171.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 53' ' ' LYS . 7.3 tp -77.88 -23.49 48.76 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.739 1.215 . . . . 0.0 111.621 -170.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.83 -50.77 72.11 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.819 1.248 . . . . 0.0 109.931 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -59.99 -41.86 92.95 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.94 0.876 . . . . 0.0 110.01 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.93 -9.43 54.99 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.356 -171.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.9 mm -73.3 -63.63 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.292 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.07 -25.37 68.34 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -168.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.33 -60.64 1.97 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 44.25 -153.81 0.03 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.157 0.983 . . . . 0.0 113.589 -173.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -132.81 -54.97 0.94 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.494 1.917 . . . . 0.0 106.962 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.31 168.11 12.45 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.243 1.817 . . . . 0.0 106.43 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -59.76 -50.84 72.24 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.054 -0.404 . . . . 0.0 110.812 176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 t -57.79 -48.82 78.59 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.57 -0.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.149 1.379 . . . . 0.0 111.921 -172.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.75 -74.84 0.18 Allowed 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.223 -1.548 . . . . 0.0 108.325 161.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -69.78 -22.91 63.29 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 121.876 -0.515 . . . . 0.0 111.945 -170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.39 -30.14 51.04 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.101 -0.999 . . . . 0.0 111.964 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HB3' HD11 ' A' ' 37' ' ' LEU . 34.8 mttp -70.12 -45.06 67.68 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.195 0.907 . . . . 0.0 111.326 173.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.7 ptp -66.79 -35.4 79.99 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.132 0.424 . . . . 0.0 111.078 -172.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' A' ' 58' ' ' LEU . 49.0 t -65.56 -14.87 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.37 0.668 . . . . 0.0 110.434 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.1 m -107.81 22.33 16.12 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.125 1.77 . . . . 0.0 111.629 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.25 -46.38 1.79 Allowed 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 125.444 1.498 . . . . 0.0 107.391 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -75.27 8.57 2.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -165.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 t -123.61 -43.3 2.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.913 1.685 . . . . 0.0 110.318 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.33 -45.69 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 118.945 0.793 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.88 -47.03 88.26 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-N 117.901 0.318 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mt -57.78 -32.77 67.84 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.261 0.624 . . . . 0.0 109.781 -174.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 t -75.34 3.69 8.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 123.338 0.655 . . . . 0.0 112.076 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -14.71 13.98 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 120.687 -1.258 . . . . 0.0 111.443 167.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -152.3 -23.87 0.17 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 119.654 3.205 . . . . 0.0 119.654 -159.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.53 64.26 4.14 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 120.617 1.553 . . . . 0.0 113.5 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HB2' HD21 ' A' ' 22' ' ' LEU . . . -84.27 -169.33 2.55 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.829 -0.806 . . . . 0.0 112.166 174.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.77 -51.12 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.541 0 C-N-CA 124.563 1.145 . . . . 0.0 111.09 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.05 14.18 1.95 Allowed 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.591 1.182 . . . . 0.0 108.224 -157.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.75 -31.7 50.04 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 120.735 -1.228 . . . . 0.0 110.968 -170.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.15 -27.67 63.72 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.323 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -64.39 -49.73 70.42 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 118.725 0.693 . . . . 0.0 110.539 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -27.6 68.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.937 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.7 m -59.73 -51.48 69.57 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.873 0.761 . . . . 0.0 109.104 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -77.63 -6.72 54.77 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.707 0.803 . . . . 0.0 112.864 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -71.48 -69.87 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 156.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -69.11 -24.59 64.14 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -159.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -39.16 77.43 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 119.74 1.154 . . . . 0.0 111.413 173.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.52 -40.89 56.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.397 0.617 . . . . 0.0 109.729 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -65.97 -11.12 45.45 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.735 1.214 . . . . 0.0 112.858 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -34.27 8.84 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 120.096 1.316 . . . . 0.0 112.184 169.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.56 71.46 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.295 0.638 . . . . 0.0 112.073 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 t -69.69 -9.73 55.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.718 1.607 . . . . 0.0 111.535 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 65.9 mt -110.27 15.86 22.06 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.744 1.617 . . . . 0.0 110.375 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 154.646 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.031 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . 0.298 2.8 p-80 50.99 -163.97 0.05 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 126.833 2.053 . . . . 0.0 110.992 178.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -137.42 121.33 17.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.3 tttt 75.51 -75.88 0.07 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-N 112.963 -1.926 . . . . 0.0 112.755 -177.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 ptm 174.21 169.65 0.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 131.229 3.812 . . . . 0.0 104.522 -168.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -136.54 43.93 2.42 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.377 0.608 . . . . 0.0 109.398 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 56.73 37.38 28.76 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 123.748 1.737 . . . . 0.0 112.513 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.48 81.28 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.71 1.2 20.98 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 125.2 1.4 . . . . 0.0 112.119 172.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.08 16.84 5.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.185 1.394 . . . . 0.0 113.205 173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.301 4.3 t 43.71 -86.52 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 129.87 3.268 . . . . 0.0 114.08 155.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 m -139.0 143.94 38.69 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 129.506 3.123 . . . . 0.0 107.505 -164.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.1 m -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.741 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.08 -34.51 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 119.635 1.107 . . . . 0.0 111.667 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -71.17 -55.17 8.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 119.94 -1.725 . . . . 0.0 107.051 175.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.73 -37.13 85.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 112.61 -2.086 . . . . 0.0 111.696 -160.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -54.54 -39.31 67.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 128.735 2.814 . . . . 0.0 111.555 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -72.18 -31.27 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 125.819 1.648 . . . . 0.0 111.29 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB3' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -82.39 -48.23 11.38 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 121.552 -0.718 . . . . 0.0 109.435 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -66.1 -16.64 64.12 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.983 0.913 . . . . 0.0 111.998 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -15.59 31.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 120.05 1.295 . . . . 0.0 112.05 174.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.863 HD23 HE21 ' A' ' 65' ' ' GLN . 0.7 OUTLIER -116.29 -85.94 0.62 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.927 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.6 18.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.953 0.901 . . . . 0.0 113.323 -163.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 19' ' ' LEU . 13.0 p -52.58 162.63 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.789 -1.194 . . . . 0.0 111.595 -172.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 27' ' ' SER . 28.1 mt-10 -121.91 116.94 25.28 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.319 1.047 . . . . 0.0 111.557 -173.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -69.47 30.6 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.068 1.747 . . . . 0.0 112.637 164.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 25' ' ' GLU . 6.8 t -140.4 10.39 2.3 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.413 1.885 . . . . 0.0 110.84 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -134.09 145.16 49.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.989 -1.07 . . . . 0.0 108.654 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.64 -29.96 4.92 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 61' ' ' LEU . 2.1 tm? -53.49 -51.16 63.67 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.051 1.34 . . . . 0.0 111.47 -175.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -49.74 -50.04 45.79 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.016 0.826 . . . . 0.0 110.912 176.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.92 76.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.573 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.84 -39.22 11.58 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.437 1.495 . . . . 0.0 110.248 -177.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.2 -49.59 16.76 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 123.444 0.465 . . . . 0.0 110.773 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.21 -50.41 68.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 124.339 1.055 . . . . 0.0 111.5 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -43.46 98.84 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' LYS . 5.8 tt -65.79 -32.84 74.61 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.461 -0.781 . . . . 0.0 110.725 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -56.73 -51.96 66.83 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.425 1.011 . . . . 0.0 111.065 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -68.17 -32.45 72.71 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 119.138 -1.025 . . . . 0.0 110.464 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.77 -7.37 26.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.577 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.9 mm -72.19 -63.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 121.369 1.895 . . . . 0.0 107.423 166.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -67.45 -22.04 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.43 0.692 . . . . 0.0 110.61 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.8 17.21 23.46 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.41 1.884 . . . . 0.0 110.83 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.04 -176.81 1.2 Allowed 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.593 1.187 . . . . 0.0 111.901 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -71.06 -51.17 26.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 126.529 1.932 . . . . 0.0 112.253 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.38 173.04 12.63 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 129.177 2.991 . . . . 0.0 109.116 -166.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 m -55.39 -55.59 29.83 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.645 1.178 . . . . 0.0 112.344 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 t -68.89 -46.91 67.16 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -166.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -79.26 3.88 16.68 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.181 0.515 . . . . 0.0 110.872 -174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.76 -63.63 1.37 Allowed 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 164.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -69.78 -27.06 64.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.89 -0.506 . . . . 0.0 111.795 -173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -64.98 -9.38 21.17 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.954 -1.092 . . . . 0.0 113.267 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HB3' HD21 ' A' ' 37' ' ' LEU . 36.4 mttm -78.48 -40.21 36.12 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 119.832 1.196 . . . . 0.0 112.669 163.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.5 ptp -69.27 -38.51 78.41 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.717 -1.24 . . . . 0.0 110.711 -170.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.71 -16.51 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 126.809 2.044 . . . . 0.0 114.401 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -85.44 -48.96 8.49 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 126.015 1.726 . . . . 0.0 109.406 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 60' ' ' VAL 0.276 1.4 pp -62.39 -43.89 97.76 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.284 0.947 . . . . 0.0 112.157 -176.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -60.16 -12.48 8.67 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -172.145 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' HD12 ' A' ' 58' ' ' LEU . 40.6 t -98.45 -50.45 4.3 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 125.493 1.517 . . . . 0.0 108.188 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 57' ' ' LEU . 5.5 p -57.94 -41.23 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD12 HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.61 -58.21 8.33 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 119.041 0.837 . . . . 0.0 109.656 176.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.1 -21.3 66.79 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.932 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -80.57 -1.56 42.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.174 0.99 . . . . 0.0 112.168 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -9.43 8.58 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 120.161 1.346 . . . . 0.0 112.934 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.863 HE21 HD23 ' A' ' 22' ' ' LEU . 8.9 pt20 -150.93 -30.56 0.18 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -173.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.07 63.52 3.94 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 118.48 0.582 . . . . 0.0 112.134 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.95 19.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.508 175.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.6 m -104.09 -59.01 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.841 0.746 . . . . 0.0 112.356 173.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -74.02 23.91 0.08 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.883 2.073 . . . . 0.0 114.149 -167.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.42 -26.77 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 120.542 -1.349 . . . . 0.0 112.097 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -5.75 58.79 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.712 0.805 . . . . 0.0 112.525 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -75.25 -59.37 2.77 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 119.901 1.228 . . . . 0.0 109.155 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -21.73 4.35 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.448 1.099 . . . . 0.0 113.651 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 96.3 m -63.37 -47.49 81.87 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.773 0.715 . . . . 0.0 109.855 172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -67.37 -27.08 66.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 118.77 0.713 . . . . 0.0 110.63 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -63.7 -85.2 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.972 0.805 . . . . 0.0 109.304 160.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -62.39 -32.24 73.02 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.041 -1.662 . . . . 0.0 114.067 -159.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -48.89 52.42 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -70.34 -31.84 69.3 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.607 -0.683 . . . . 0.0 110.372 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -69.16 -18.8 63.98 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.261 -0.899 . . . . 0.0 112.931 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -88.63 -37.13 15.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 119.624 1.102 . . . . 0.0 111.16 164.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -21.83 65.9 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.333 1.053 . . . . 0.0 113.382 -176.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.1 t -61.11 -25.61 67.09 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.18 0.992 . . . . 0.0 110.557 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.4 mt -92.24 0.49 57.46 Favored 'General case' 0 N--CA 1.457 -0.107 0 O-C-N 121.167 -0.958 . . . . 0.0 113.031 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.488 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -155.07 106.97 2.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -147.98 143.66 27.44 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.34 117.69 1.32 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 127.173 2.189 . . . . 0.0 111.546 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 ptt? 44.74 21.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.592 1.557 . . . . 0.0 114.51 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 43.32 24.21 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.304 2.241 . . . . 0.0 113.785 -169.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 t0 55.16 36.02 26.08 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.51 82.34 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 -0.16 35.81 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 175.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.578 ' HB2' HD21 ' A' ' 16' ' ' LEU 0.33 1.6 p 61.96 175.45 0.13 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 128.655 2.782 . . . . 0.0 112.372 -173.403 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 t -163.14 -53.72 0.04 OUTLIER 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -154.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 15' ' ' LEU . 19.1 m -127.53 95.43 4.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -154.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.97 -29.66 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 117.246 -1.359 . . . . 0.0 113.936 -166.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.3 p -44.9 -51.2 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 O-C-N 124.375 1.047 . . . . 0.0 108.379 175.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -69.26 -41.99 76.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.909 2.484 . . . . 0.0 111.895 -176.051 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' HG ' ' A' ' 15' ' ' LEU . 4.1 mm? -67.93 -47.98 67.21 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 123.842 0.857 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -39.63 56.68 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.815 1.646 . . . . 0.0 111.782 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 18' ' ' VAL . 6.9 t -53.82 -38.96 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 119.569 1.077 . . . . 0.0 112.28 174.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.4 mt -85.64 -43.67 13.24 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 -170.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -59.94 -28.75 67.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.687 1.195 . . . . 0.0 111.035 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -27.9 43.03 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 119.349 0.977 . . . . 0.0 111.75 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.933 HD23 HE21 ' A' ' 65' ' ' GLN . 0.9 OUTLIER -103.11 -81.66 0.5 Allowed 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.85 6.07 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -165.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -45.35 135.71 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 124.587 1.155 . . . . 0.0 112.13 -164.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -93.15 115.21 27.85 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 p -55.47 -33.64 63.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.577 0.751 . . . . 0.0 110.27 164.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -58.51 -7.47 0.94 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.44 2.296 . . . . 0.0 114.175 171.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.9 t -118.22 147.06 43.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 120.446 1.475 . . . . 0.0 108.351 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -26.54 5.04 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.013 168.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD11 HD12 ' A' ' 61' ' ' LEU . 2.3 tm? -54.69 -45.31 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.274 1.03 . . . . 0.0 111.179 -174.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -51.37 -56.0 15.5 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.33 73.6 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.261 1.024 . . . . 0.0 113.571 -175.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.95 -43.94 60.34 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 125.596 1.558 . . . . 0.0 108.265 176.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -4.93 58.98 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.668 -172.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -109.24 -51.94 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 HE21 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -54.96 -40.81 70.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 177.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' N ' HE21 ' A' ' 36' ' ' GLN . 6.4 tp -78.6 -11.24 59.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.608 1.163 . . . . 0.0 112.249 -173.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -71.62 -45.61 61.58 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.42 -0.8 . . . . 0.0 109.047 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -58.86 -46.9 86.67 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -8.21 1.8 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.858 1.663 . . . . 0.0 114.052 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.9 mm -76.32 -49.37 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 119.669 1.122 . . . . 0.0 108.842 168.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.8 -31.87 72.78 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.763 1.625 . . . . 0.0 109.792 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -99.35 13.31 33.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.972 1.309 . . . . 0.0 111.265 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 156.52 38.87 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.678 0.391 . . . . 0.0 110.792 176.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -61.09 -46.1 92.04 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 123.966 0.906 . . . . 0.0 112.068 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -143.54 -176.25 4.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 109.033 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -64.53 -55.72 18.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.31 1.444 . . . . 0.0 112.087 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.1 t -55.49 -47.97 75.33 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.25 -17.98 64.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.622 1.569 . . . . 0.0 112.625 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.53 -72.2 0.19 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 119.328 0.967 . . . . 0.0 109.557 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -67.6 -20.84 65.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.264 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 -21.7 2.09 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -103.63 -27.61 12.21 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 119.399 1.0 . . . . 0.0 113.208 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ptp -64.0 -40.86 97.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.222 1.374 . . . . 0.0 109.945 175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.61 -6.52 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 125.163 1.385 . . . . 0.0 110.829 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -109.14 8.73 26.09 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.543 1.137 . . . . 0.0 114.063 171.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -117.41 -39.28 3.19 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.747 1.612 . . . . 0.0 109.02 176.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 5.31 0.38 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 127.418 2.287 . . . . 0.0 115.655 -172.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.79 -3.87 4.1 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 112.521 172.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 57' ' ' LEU . 7.2 p -66.16 -42.99 92.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 120.379 1.445 . . . . 0.0 107.353 159.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.409 HD12 HD11 ' A' ' 30' ' ' LEU . 2.0 mm? -60.7 -52.71 63.94 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -175.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 70' ' ' ILE . 10.1 mt -68.97 -13.53 62.5 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -168.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.8 t -94.51 -2.09 52.3 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.443 1.097 . . . . 0.0 110.775 176.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.28 -35.53 6.26 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.631 1.172 . . . . 0.0 110.871 169.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.933 HE21 HD23 ' A' ' 22' ' ' LEU . 8.7 pt20 -133.6 -18.18 2.2 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 117.33 2.345 . . . . 0.0 117.33 -167.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.83 56.15 26.71 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.691 1.132 . . . . 0.0 114.843 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.11 177.12 3.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.047 0.939 . . . . 0.0 112.802 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.6 p -123.49 -47.21 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.956 0 C-N-CA 126.01 1.724 . . . . 0.0 111.406 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.31 21.1 1.48 Allowed 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.029 -159.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.491 HG13 HD21 ' A' ' 62' ' ' LEU . 8.8 mm -46.41 -48.62 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.137 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.786 164.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.49 -14.53 62.56 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.172 -166.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -70.91 0.22 Allowed 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.124 0.969 . . . . 0.0 108.937 174.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD12 ' CE ' ' A' ' 77' ' ' MET . 0.6 OUTLIER -49.54 -32.83 13.25 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 124.46 1.104 . . . . 0.0 113.087 -176.062 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 86.0 m -54.89 -56.98 13.56 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.735 1.214 . . . . 0.0 108.982 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.23 -11.3 59.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.995 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -88.1 -62.79 1.41 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 120.35 1.432 . . . . 0.0 108.268 172.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.51 ' CE ' HD12 ' A' ' 73' ' ' LEU . 18.1 ptt? -66.96 -22.68 65.92 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 120.2 -1.562 . . . . 0.0 113.32 -173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.62 -23.98 45.59 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 118.722 0.692 . . . . 0.0 112.041 173.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.16 -36.01 12.25 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 118.425 0.557 . . . . 0.0 110.539 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.62 -26.39 21.89 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.238 1.415 . . . . 0.0 111.367 173.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -37.93 11.33 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-N 118.733 0.697 . . . . 0.0 112.068 173.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.49 -25.75 66.84 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 123.065 0.546 . . . . 0.0 112.193 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -73.81 0.45 13.13 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.426 1.09 . . . . 0.0 110.223 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.2 mt -106.17 16.0 25.53 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.416 2.286 . . . . 0.0 110.592 169.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 115.918 -1.991 . . . . 0.0 109.228 -178.86 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.779 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 55.51 -172.14 0.06 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.709 1.203 . . . . 0.0 111.97 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 51.93 -176.51 0.02 OUTLIER 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.172 1.389 . . . . 0.0 113.784 -172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.23 -28.29 0.05 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.159 1.784 . . . . 0.0 112.406 161.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.58 -8.74 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -160.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 48.19 31.86 2.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.532 1.933 . . . . 0.0 114.722 171.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.98 54.39 6.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.249 2.22 . . . . 0.0 109.55 172.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.89 82.98 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 O-C-N 120.514 -1.366 . . . . 0.0 108.713 -169.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -3.93 20.42 Favored 'General case' 0 CA--C 1.507 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 113.856 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.9 m 45.72 69.51 0.45 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 125.633 1.833 . . . . 0.0 108.615 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -103.66 152.62 21.57 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 127.662 2.385 . . . . 0.0 105.861 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.5 t 52.2 -172.36 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 124.138 1.923 . . . . 0.0 109.365 -153.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.97 -12.2 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 C-N-CA 127.965 2.506 . . . . 0.0 108.067 169.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 HD23 ' A' ' 15' ' ' LEU . 7.4 p -60.72 -27.88 41.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.367 0.531 . . . . 0.0 110.735 -176.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -82.88 -61.8 1.77 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 168.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -42.32 73.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -164.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -53.24 -40.13 64.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.495 1.118 . . . . 0.0 111.152 176.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 22' ' ' LEU . 5.1 t -66.09 -22.63 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.225 1.01 . . . . 0.0 111.363 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.52 -38.62 12.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 121.146 1.794 . . . . 0.0 110.214 175.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -66.13 -28.31 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 126.154 1.781 . . . . 0.0 111.51 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.86 -23.77 54.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.734 2.014 . . . . 0.0 109.757 171.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.532 HD23 HE21 ' A' ' 65' ' ' GLN . 1.8 mm? -132.33 11.72 4.55 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 114.703 -170.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.491 ' HD2' ' C ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 62.85 46.11 5.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.65 1.691 . . . . 0.0 111.202 161.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 30' ' ' LEU . 5.7 p -44.05 161.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 111.103 -2.771 . . . . 0.0 111.216 162.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.28 104.2 11.84 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -168.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -57.91 -23.5 53.58 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.3 m -83.85 8.6 14.38 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.67 1.588 . . . . 0.0 112.959 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -124.1 153.17 41.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.646 1.566 . . . . 0.0 110.586 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -29.3 10.69 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.352 172.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 24' ' ' VAL . 1.7 tm? -53.6 -45.43 70.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.224 1.009 . . . . 0.0 111.641 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -66.0 -24.26 66.74 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 120.946 -1.096 . . . . 0.0 112.49 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.69 -35.75 24.26 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.058 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -49.7 -24.04 2.08 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.394 2.277 . . . . 0.0 113.825 -171.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -54.09 2.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.761 0.663 . . . . 0.0 111.192 172.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.54 -44.18 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.961 0.904 . . . . 0.0 112.51 -175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -28.86 27.39 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.597 HD13 HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -72.7 -27.15 61.89 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.785 176.211 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -54.72 -60.98 2.62 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.498 173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -63.04 -32.78 74.23 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.069 0.849 . . . . 0.0 110.973 -176.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.7 -11.83 19.83 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.554 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 mm -76.67 -46.73 30.4 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 121.963 2.165 . . . . 0.0 106.127 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -72.35 -23.07 61.09 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.247 1.819 . . . . 0.0 110.574 -176.437 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -97.28 11.33 36.88 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 110.298 176.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.68 166.67 22.36 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.025 -1.047 . . . . 0.0 111.372 170.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -81.52 -51.88 7.81 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 124.875 1.27 . . . . 0.0 111.441 -174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -115.16 -176.59 2.94 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.717 1.607 . . . . 0.0 108.082 -169.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 m -73.71 -61.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.603 -0.685 . . . . 0.0 109.189 165.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.437 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 6.8 t -56.72 -43.32 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.178 0.514 . . . . 0.0 110.38 -172.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -69.08 -15.66 63.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.225 1.01 . . . . 0.0 111.751 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.76 -58.3 3.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.883 0.873 . . . . 0.0 110.101 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 48' ' ' THR . 13.2 p90 -68.22 -29.48 68.32 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.364 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.58 -24.05 2.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.459 1.504 . . . . 0.0 114.064 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 -28.5 13.79 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.522 -0.736 . . . . 0.0 111.626 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.0 ptp -70.28 -35.66 73.88 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.016 -1.677 . . . . 0.0 111.679 172.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.0 m -69.28 -3.73 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 120.665 -1.272 . . . . 0.0 113.668 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -115.87 12.99 15.96 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 131.282 3.833 . . . . 0.0 112.786 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 58' ' ' LEU . 3.1 pp -121.97 -37.51 2.84 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.729 1.212 . . . . 0.0 111.581 169.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.682 ' N ' HD12 ' A' ' 57' ' ' LEU . 1.5 pt? -60.14 -31.61 70.25 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 118.945 0.793 . . . . 0.0 111.773 -172.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t -69.38 -43.05 74.32 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 -177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.03 -37.68 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 128.947 2.899 . . . . 0.0 111.38 -172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' O ' ' HG2' ' A' ' 65' ' ' GLN . 21.3 mt -70.59 -63.5 1.08 Allowed 'General case' 0 CA--C 1.485 -1.539 0 C-N-CA 127.454 2.302 . . . . 0.0 106.176 175.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.33 -24.99 21.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.799 1.181 . . . . 0.0 111.537 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -77.3 -0.86 27.04 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.405 ' SD ' ' HB3' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -124.26 -22.71 4.68 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.684 2.393 . . . . 0.0 111.98 175.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.532 HE21 HD23 ' A' ' 22' ' ' LEU . 17.4 pt20 -148.25 -15.34 0.34 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 117.19 2.292 . . . . 0.0 117.19 -161.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.61 65.9 3.19 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-N 120.99 1.723 . . . . 0.0 114.149 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.61 149.03 22.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.65 1.18 . . . . 0.0 110.994 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 m -91.69 -50.09 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 121.362 0.601 . . . . 0.0 112.49 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.99 22.45 1.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.563 1.545 . . . . 0.0 112.04 -163.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -73.09 -11.65 14.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 O-C-N 120.987 -1.071 . . . . 0.0 112.373 -172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -94.2 -5.68 46.47 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.99 0.916 . . . . 0.0 112.25 172.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -56.89 5.0 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.572 1.533 . . . . 0.0 109.507 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 15' ' ' LEU . 1.2 pt? -51.71 -33.97 36.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 117.884 -1.055 . . . . 0.0 111.918 176.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.05 -55.6 29.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.367 0.985 . . . . 0.0 110.422 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -73.19 -4.53 33.52 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.031 0.932 . . . . 0.0 111.633 -174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -96.27 -60.66 1.57 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.227 1.011 . . . . 0.0 109.313 171.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -64.84 -31.09 72.16 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.723 -1.236 . . . . 0.0 112.655 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.03 -19.61 65.72 Favored 'General case' 0 C--O 1.226 -0.155 0 O-C-N 121.33 -0.856 . . . . 0.0 111.66 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 -31.01 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.818 1.247 . . . . 0.0 110.856 -175.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -61.06 -29.42 69.72 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.705 0.802 . . . . 0.0 110.578 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.31 -40.39 26.89 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.746 0.703 . . . . 0.0 111.631 174.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 126.16 1.784 . . . . 0.0 113.443 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -84.05 -9.94 58.24 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.886 0.874 . . . . 0.0 110.467 -170.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.6 mt -102.26 9.13 40.21 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.938 0.895 . . . . 0.0 110.998 -175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.168 -1.396 . . . . 0.0 109.303 -175.175 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.43 168.62 21.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m 63.19 -85.09 0.02 OUTLIER 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.798 1.239 . . . . 0.0 110.83 -172.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -148.98 -154.9 0.59 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.363 0.983 . . . . 0.0 109.255 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.69 128.43 35.79 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.128 1.371 . . . . 0.0 108.646 165.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -95.49 31.71 1.94 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.457 0.703 . . . . 0.0 112.241 -173.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.438 ' OD2' ' HE2' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 71.16 44.59 0.55 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.421 2.288 . . . . 0.0 111.98 178.227 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.19 59.61 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 120.589 -1.319 . . . . 0.0 113.043 -163.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HE2' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -120.94 40.37 3.57 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.84 -1.162 . . . . 0.0 113.737 -167.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.27 0.6 OUTLIER 67.34 102.15 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.385 1.874 . . . . 0.0 112.844 169.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.3 p -83.96 -70.32 0.58 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.604 1.562 . . . . 0.0 109.327 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -139.32 128.5 23.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 127.654 2.382 . . . . 0.0 106.757 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.4 -21.26 20.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.229 -172.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' ' 14' ' ' VAL . 11.0 t -47.05 -38.44 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 127.048 2.139 . . . . 0.0 111.648 178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -89.34 -50.49 6.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 118.35 0.523 . . . . 0.0 110.291 175.455 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.95 -44.13 74.05 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.149 0.5 . . . . 0.0 111.169 -171.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.97 -31.38 71.73 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 117.849 -1.072 . . . . 0.0 112.367 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.13 -37.96 71.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 119.63 1.104 . . . . 0.0 109.651 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 HE22 ' A' ' 65' ' ' GLN . 1.1 mm? -76.89 -51.87 10.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -71.24 -16.15 62.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.273 1.429 . . . . 0.0 112.369 -172.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -59.35 -23.89 62.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.77 1.628 . . . . 0.0 110.78 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 67' ' ' ALA . 17.2 mt -117.56 -87.22 0.62 Allowed 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.917 -160.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.92 32.22 0.0 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.301 1.441 . . . . 0.0 112.24 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.27 155.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.691 1.234 . . . . 0.0 111.446 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -106.21 104.3 13.97 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -50.79 13.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.187 0.995 . . . . 0.0 109.024 162.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.86 60.48 0.24 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.649 2.38 . . . . 0.0 112.024 171.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -161.18 167.22 26.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 120.42 -1.425 . . . . 0.0 109.096 171.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -26.37 68.41 Favored 'General case' 0 C--O 1.223 -0.329 0 O-C-N 121.67 -0.644 . . . . 0.0 110.796 162.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -56.92 -55.33 35.9 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.686 -171.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -49.91 -36.96 29.52 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.936 0.789 . . . . 0.0 111.841 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -78.15 -32.34 50.23 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.408 -0.806 . . . . 0.0 112.075 -177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -49.98 -36.75 29.52 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.386 1.075 . . . . 0.0 110.59 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.41 -53.29 7.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.041 -0.663 . . . . 0.0 109.583 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 32' ' ' ALA . 1.3 p -77.15 -4.09 6.05 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -170.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.405 HE21 ' CA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -98.75 -32.17 11.52 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 168.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' CA ' HE21 ' A' ' 36' ' ' GLN . 5.3 tt -88.63 -29.8 19.67 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.507 -166.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.16 -48.4 70.93 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 118.939 0.79 . . . . 0.0 110.936 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -62.06 -39.5 92.58 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 123.414 0.685 . . . . 0.0 109.639 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 82.3 m-20 -66.56 -4.36 8.4 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.213 -173.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.9 mm -78.52 -46.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -73.15 -28.87 62.48 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.673 1.589 . . . . 0.0 110.099 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 15.98 20.42 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.624 1.57 . . . . 0.0 110.488 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.41 -178.25 2.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 122.108 0.956 . . . . 0.0 109.962 171.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -76.37 -57.46 3.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.798 -0.564 . . . . 0.0 110.821 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -137.95 173.38 11.69 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -161.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.556 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 17.4 m -56.76 -56.85 16.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.325 1.05 . . . . 0.0 109.984 -177.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.1 t -60.36 -54.51 44.77 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.02 -18.0 63.9 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.711 1.204 . . . . 0.0 111.415 -172.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.91 -61.81 1.7 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.911 0.778 . . . . 0.0 110.038 174.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -72.74 -24.12 60.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.508 -0.745 . . . . 0.0 110.591 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.44 -12.91 6.91 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -99.79 -25.72 14.28 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.52 -1.228 . . . . 0.0 114.108 168.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -68.61 -36.87 79.24 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.722 2.055 . . . . 0.0 111.305 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.28 -30.63 44.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 124.131 0.972 . . . . 0.0 111.002 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.4 m -86.84 7.9 25.17 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.359 1.864 . . . . 0.0 111.71 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -45.39 3.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.656 1.982 . . . . 0.0 110.179 176.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.56 6.43 0.32 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.778 2.031 . . . . 0.0 114.21 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -126.1 -7.93 6.54 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.319 1.848 . . . . 0.0 111.56 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.63 -59.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -39.3 70.45 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -167.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 70' ' ' ILE . 3.6 mt -57.29 -36.83 71.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 124.098 0.959 . . . . 0.0 109.901 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 t -72.92 18.85 0.09 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.342 1.457 . . . . 0.0 111.337 175.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.67 0.76 1.28 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 119.996 -1.69 . . . . 0.0 113.388 169.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' HD13 ' A' ' 22' ' ' LEU . 1.9 pt20 -151.96 -27.66 0.18 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.318 -166.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.06 57.44 14.78 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 120.9 1.682 . . . . 0.0 111.848 -174.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 22' ' ' LEU . . . -75.4 151.24 38.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 121.939 -0.741 . . . . 0.0 110.327 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -84.13 -49.59 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 123.356 0.41 . . . . 0.0 109.988 167.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.48 19.11 0.64 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -159.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.661 HG21 HD11 ' A' ' 62' ' ' LEU . 10.7 tp -64.59 -30.56 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 O-C-N 120.577 -1.327 . . . . 0.0 112.141 -172.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.91 -20.77 60.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.388 177.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.66 -53.05 57.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.187 1.358 . . . . 0.0 110.196 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -63.03 -30.57 71.7 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.979 177.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 85.9 m -62.78 -43.98 97.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.705 0.684 . . . . 0.0 110.571 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.11 -13.43 60.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.637 0.653 . . . . 0.0 112.653 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.22 -72.05 0.32 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 163.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -64.8 -35.61 81.64 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 -165.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -38.38 89.91 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 119.995 1.27 . . . . 0.0 108.588 176.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.03 -34.95 59.67 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.257 0.551 . . . . 0.0 111.957 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.34 -29.11 61.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.32 -171.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.584 ' NH1' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -65.62 -25.96 67.61 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 120.781 -1.2 . . . . 0.0 111.4 168.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . . . -86.49 -0.58 56.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.603 2.361 . . . . 0.0 114.061 -175.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 t -96.93 -27.42 14.66 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.179 1.354 . . . . 0.0 111.186 174.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mp -75.41 -4.0 36.94 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 116.996 2.221 . . . . 0.0 116.996 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? . . . . . 0 C--O 1.249 1.029 0 CA-C-O 116.669 -1.634 . . . . 0.0 109.809 -176.659 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.963 0 CA-C-O 119.379 -0.678 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 44.92 37.83 2.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.327 1.851 . . . . 0.0 112.6 176.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.0 177.55 8.13 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.691 1.596 . . . . 0.0 107.816 162.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 pttm 59.51 168.57 0.07 Allowed 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 128.914 2.886 . . . . 0.0 112.305 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.7 ptm -67.87 110.83 4.01 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.031 -2.35 . . . . 0.0 109.193 159.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 8' ' ' VAL . 60.2 m -63.06 176.78 0.68 Allowed 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 153.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -102.82 76.48 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 119.632 -1.917 . . . . 0.0 108.905 -150.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 6' ' ' SER . 2.2 t -76.13 25.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 129.153 2.981 . . . . 0.0 115.885 -162.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 10.82 0.82 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 -165.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 16' ' ' LEU 0.313 26.3 p 45.71 65.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 126.234 1.813 . . . . 0.0 113.762 166.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 12' ' ' SER 0.272 9.7 t -123.26 -79.92 0.62 Allowed 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.993 -158.046 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.674 ' H ' HG23 ' A' ' 11' ' ' THR . 4.5 m -48.36 106.03 0.09 Allowed 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 128.212 2.605 . . . . 0.0 109.154 171.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.92 -23.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 120.242 1.383 . . . . 0.0 112.876 -174.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.09 -35.88 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 122.883 0.473 . . . . 0.0 110.555 -168.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -19.82 33.1 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.505 1.048 . . . . 0.0 110.929 -175.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 10' ' ' CYS . 3.2 mt -99.99 -39.83 7.95 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.588 1.955 . . . . 0.0 112.983 -167.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -56.2 -46.05 79.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.922 1.689 . . . . 0.0 111.402 176.077 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB1' ' A' ' 67' ' ' ALA 0.295 0.0 OUTLIER -44.81 -17.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 120.977 3.695 . . . . 0.0 120.977 160.599 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.6 -50.32 3.04 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -172.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 3.8 pt20 -65.5 -18.23 65.16 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.09 0.956 . . . . 0.0 112.077 176.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' CB ' HD22 ' A' ' 22' ' ' LEU . 3.8 mt-30 -49.84 -33.04 15.68 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.699 1.2 . . . . 0.0 112.79 166.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD23 HE21 ' A' ' 65' ' ' GLN . 2.9 mm? -110.8 -85.66 0.55 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.188 -162.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.823 1.649 . . . . 0.0 111.383 -177.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.22 148.51 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 122.163 0.982 . . . . 0.0 110.749 -169.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -108.48 108.5 19.46 Favored 'General case' 0 N--CA 1.443 -0.776 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 p -59.29 -19.73 48.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 122.914 0.486 . . . . 0.0 111.727 166.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 t -71.48 -3.48 21.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.282 1.433 . . . . 0.0 112.999 171.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -120.56 151.27 39.63 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 120.214 1.37 . . . . 0.0 108.387 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -27.62 15.13 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD11 HD23 ' A' ' 61' ' ' LEU . 2.6 tm? -54.16 -49.09 70.08 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.572 1.149 . . . . 0.0 111.647 -175.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -51.67 -49.79 61.68 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.953 1.252 . . . . 0.0 110.897 173.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 35' ' ' VAL . . . -69.17 -35.83 76.7 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.061 -177.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -52.06 -20.93 2.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.814 2.446 . . . . 0.0 112.645 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -86.11 -65.27 1.03 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.177 1.791 . . . . 0.0 111.06 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG13 HG13 ' A' ' 8' ' ' VAL . 9.0 p -63.64 -41.17 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 C-N-CA 123.555 0.742 . . . . 0.0 112.343 -170.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -24.43 66.37 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.567 0.747 . . . . 0.0 109.085 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tt -88.27 -32.16 18.64 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.79 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -54.12 -50.85 65.96 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.739 1.154 . . . . 0.0 111.89 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -64.15 -40.38 96.02 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.764 175.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.49 -16.88 10.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.377 0.99 . . . . 0.0 112.322 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.96 -58.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 120.03 1.286 . . . . 0.0 107.852 170.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.64 -25.32 67.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.017 0.927 . . . . 0.0 111.14 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -98.13 12.99 32.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.579 1.552 . . . . 0.0 111.608 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 176.16 3.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.999 0.92 . . . . 0.0 113.357 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -63.48 -58.27 7.56 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.818 0.847 . . . . 0.0 110.389 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -148.47 179.23 7.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 126.842 2.057 . . . . 0.0 108.101 -173.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.43 HG23 ' CZ ' ' A' ' 81' ' ' ARG . 24.9 m -45.49 -60.01 2.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.967 3.307 . . . . 0.0 110.949 175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.7 t -68.88 -41.01 78.91 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -64.47 -20.84 66.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.836 0.855 . . . . 0.0 110.753 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.5 -62.45 1.41 Allowed 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -71.78 -21.68 61.69 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.718 -176.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -23.94 5.65 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.752 1.221 . . . . 0.0 113.102 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -100.75 -29.45 12.27 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.337 0.655 . . . . 0.0 112.011 174.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 ptp -67.8 -37.21 81.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.377 1.444 . . . . 0.0 112.054 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.36 -24.33 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.279 0.632 . . . . 0.0 109.741 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.5 m -79.08 -38.77 35.5 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 120.647 -1.283 . . . . 0.0 110.952 172.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -52.88 63.86 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.245 1.418 . . . . 0.0 108.947 -174.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 59' ' ' SER . 0.4 OUTLIER -62.03 -10.77 10.84 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -171.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.8 t -109.55 -19.92 13.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 124.462 1.105 . . . . 0.0 110.204 -172.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.7 p -72.03 -48.94 47.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 120.637 1.562 . . . . 0.0 108.419 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 30' ' ' LEU . 2.4 mt -74.33 -49.42 22.96 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 121.654 -0.654 . . . . 0.0 110.492 -166.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.43 -34.35 75.25 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.454 177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t -69.87 2.19 3.67 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.365 0.529 . . . . 0.0 111.937 173.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -22.31 5.11 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.693 1.133 . . . . 0.0 111.644 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.788 HE21 HD23 ' A' ' 22' ' ' LEU . 9.5 pt20 -147.95 -4.14 0.49 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 119.222 3.045 . . . . 0.0 119.222 -165.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.14 55.36 24.55 Favored Glycine 0 CA--C 1.536 1.353 0 CA-C-N 121.958 2.163 . . . . 0.0 114.396 175.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB1' HG12 ' A' ' 18' ' ' VAL . . . -96.84 165.76 11.95 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.696 1.198 . . . . 0.0 112.768 177.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -55.5 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -173.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' HB2' HG13 ' A' ' 18' ' ' VAL . 1.3 m-20 -60.24 0.98 0.13 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.07 2.148 . . . . 0.0 115.695 -164.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tp -65.43 -28.9 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.113 1.365 . . . . 0.0 111.483 -167.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.41 0.02 57.4 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 124.303 1.041 . . . . 0.0 112.362 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -70.92 -58.18 3.85 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 120.304 1.411 . . . . 0.0 107.433 163.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -31.99 71.81 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.999 -167.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 27.3 p -54.49 -60.07 3.85 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.344 1.429 . . . . 0.0 109.916 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.15 -17.05 63.17 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.75 1.22 . . . . 0.0 111.031 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -79.37 -64.23 1.23 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.431 1.492 . . . . 0.0 109.543 174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -69.27 -31.65 70.31 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.962 -1.086 . . . . 0.0 112.676 -174.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.07 -29.78 71.08 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.417 0.687 . . . . 0.0 111.162 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.71 -26.92 18.38 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 122.015 -0.428 . . . . 0.0 111.236 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -64.33 -27.01 68.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.763 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' CZ ' HG23 ' A' ' 47' ' ' THR . 6.1 ptt85 -76.04 -40.98 52.21 Favored 'General case' 0 C--N 1.342 0.268 0 CA-C-N 120.182 1.356 . . . . 0.0 110.85 167.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.42 -20.88 62.06 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.633 1.573 . . . . 0.0 113.671 -168.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 t -62.33 -27.59 69.15 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.0 mt -106.24 11.2 31.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.472 2.309 . . . . 0.0 112.506 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.21 0 C-N-CA 128.126 2.571 . . . . 0.0 111.051 166.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.591 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -144.64 117.71 8.88 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 64.9 172.72 0.2 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -85.27 -85.27 0.15 Allowed 'General case' 0 C--N 1.339 0.151 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 152.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -23.8 4.71 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.116 0.966 . . . . 0.0 113.033 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m 52.59 172.27 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.026 1.33 . . . . 0.0 112.537 -164.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -98.26 60.17 1.39 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 123.013 1.387 . . . . 0.0 110.215 -148.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.11 74.85 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -153.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.33 88.69 2.79 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.625 -0.672 . . . . 0.0 110.416 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.1 p -60.26 117.15 4.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.9 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 12' ' ' SER 0.302 5.9 t -125.0 -87.07 0.62 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.595 ' H ' HG23 ' A' ' 11' ' ' THR . 53.0 m -70.39 119.54 14.71 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.709 1.204 . . . . 0.0 109.225 -173.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.57 -17.63 17.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.275 -174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -45.89 -43.26 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.181 1.792 . . . . 0.0 111.008 174.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -93.39 -28.59 16.07 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 118.461 -0.781 . . . . 0.0 112.674 -179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 35' ' ' VAL . 3.4 mm? -78.71 -41.44 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 120.068 1.303 . . . . 0.0 111.72 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.1 t -63.37 -38.69 92.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.475 1.11 . . . . 0.0 108.43 -172.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 69' ' ' ASP . 28.7 m -63.41 -15.92 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 121.172 -0.955 . . . . 0.0 113.304 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.5 mt -100.29 -42.73 6.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.884 0.874 . . . . 0.0 109.032 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -64.7 -17.76 64.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.991 1.717 . . . . 0.0 111.421 172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.624 HE22 ' CG2' ' A' ' 68' ' ' VAL . 10.0 mt-30 -59.03 -42.74 90.91 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.989 0.916 . . . . 0.0 109.82 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' A' ' 65' ' ' GLN . 1.3 mm? -94.67 -86.29 0.29 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 -168.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.46 41.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 123.057 1.408 . . . . 0.0 112.502 -170.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -61.44 150.26 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 119.54 -1.975 . . . . 0.0 110.915 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -108.78 108.97 19.99 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.287 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -56.16 -46.56 79.26 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.08 1.752 . . . . 0.0 110.279 165.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 t -78.09 46.76 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.19 1.396 . . . . 0.0 110.392 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.8 t -152.75 157.85 41.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -24.73 60.72 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.731 -0.605 . . . . 0.0 112.31 174.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -52.3 -51.63 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.083 0.953 . . . . 0.0 111.932 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 42.8 t90 -60.72 -15.98 34.96 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.7 -29.19 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 117.043 -1.456 . . . . 0.0 113.223 170.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -51.88 -29.14 18.6 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 120.874 1.67 . . . . 0.0 112.47 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.76 -58.69 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 173.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 16' ' ' LEU . 42.9 t -52.16 -48.17 43.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -39.52 55.49 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.797 1.181 . . . . 0.0 110.374 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 57' ' ' LEU . 1.2 tt -67.6 -23.07 65.34 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.508 1.123 . . . . 0.0 110.514 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -56.87 -48.68 77.58 Favored 'General case' 0 N--CA 1.457 -0.081 0 O-C-N 120.829 -1.169 . . . . 0.0 110.47 170.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -62.84 -42.46 99.75 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 118.199 0.454 . . . . 0.0 109.808 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -58.15 -19.12 30.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.936 1.294 . . . . 0.0 112.374 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 mm -71.28 -44.21 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 42' ' ' LEU . 1.5 mm? -72.12 -27.62 62.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.398 1.479 . . . . 0.0 111.449 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.86 -3.45 58.75 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.078 0.399 . . . . 0.0 110.413 -178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.53 158.87 35.35 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.716 0.769 . . . . 0.0 110.331 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -40.29 83.62 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.558 1.143 . . . . 0.0 111.543 -174.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -144.22 176.88 9.0 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 124.614 1.166 . . . . 0.0 108.046 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -55.44 -56.81 15.88 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 123.868 0.867 . . . . 0.0 111.952 170.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -55.75 -47.01 77.7 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -168.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -75.78 -25.99 56.92 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.973 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.11 -61.2 2.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -79.27 -18.58 52.46 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.913 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.92 -48.83 51.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 119.348 0.977 . . . . 0.0 110.484 168.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -29.3 61.57 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.253 -0.904 . . . . 0.0 111.485 -178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 ptp -67.92 -42.2 81.45 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.296 1.407 . . . . 0.0 111.729 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.432 ' HA ' HD22 ' A' ' 58' ' ' LEU . 53.3 t -70.68 -6.46 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 120.912 -1.117 . . . . 0.0 110.35 176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.6 m -93.58 1.5 56.67 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 116.821 -1.562 . . . . 0.0 113.824 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 60' ' ' VAL . 3.1 pp -118.17 -30.86 5.18 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 122.773 2.533 . . . . 0.0 112.569 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -75.35 2.25 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 125.58 1.552 . . . . 0.0 114.099 -165.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 t -116.13 -29.45 6.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.725 1.61 . . . . 0.0 109.53 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 57' ' ' LEU . 1.9 t -55.49 -51.91 52.4 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 124.423 1.089 . . . . 0.0 109.539 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -33.11 61.35 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -168.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.56 -40.14 78.24 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 122.847 0.459 . . . . 0.0 110.211 175.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -71.04 8.77 0.85 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.584 1.154 . . . . 0.0 111.702 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -3.27 4.93 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.641 166.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 1.9 pt20 -152.79 -27.66 0.15 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -167.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.02 64.85 3.7 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 120.509 1.504 . . . . 0.0 113.195 -170.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.89 164.09 16.79 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.739 -0.859 . . . . 0.0 112.783 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.648 HG23 ' H ' ' A' ' 69' ' ' ASP . 1.3 m -97.03 -82.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' H ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -65.91 19.92 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 131.108 3.763 . . . . 0.0 113.053 -164.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tp -64.52 -27.5 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 O-C-N 120.09 -1.631 . . . . 0.0 111.381 -172.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.79 -17.0 60.02 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 123.882 0.873 . . . . 0.0 112.94 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -66.03 -51.08 61.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 119.47 1.032 . . . . 0.0 109.889 -173.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -59.59 -26.66 65.61 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.488 177.254 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 34.9 m -64.18 -18.85 64.88 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.534 1.061 . . . . 0.0 112.337 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -112.31 19.61 17.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.952 2.101 . . . . 0.0 108.405 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.19 -67.42 0.92 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.288 1.435 . . . . 0.0 109.475 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -66.55 -25.16 66.52 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.701 -1.249 . . . . 0.0 112.27 -172.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -34.17 77.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.202 1.001 . . . . 0.0 110.781 170.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -77.88 -36.63 49.48 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 121.56 0.695 . . . . 0.0 110.965 -177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -66.41 -16.86 64.41 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.588 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.64 -32.09 14.22 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.074 0.852 . . . . 0.0 112.088 168.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.88 81.05 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 124.982 1.313 . . . . 0.0 113.167 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 84' ' ' LEU . 12.1 t -65.22 -21.73 66.79 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.75 0.82 . . . . 0.0 110.558 -171.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 83' ' ' THR . 4.4 mp -74.94 -5.56 44.49 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.634 1.574 . . . . 0.0 113.315 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.942 1.697 . . . . 0.0 109.894 -167.434 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.532 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -159.37 106.77 1.75 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t 59.79 -162.48 0.25 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.227 1.411 . . . . 0.0 111.354 -169.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.01 -53.24 16.87 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.951 1.7 . . . . 0.0 110.237 170.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.9 ptm -158.0 166.55 32.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.053 2.541 . . . . 0.0 107.061 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -126.08 40.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.092 0.957 . . . . 0.0 108.543 163.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.9 t0 64.64 54.6 1.4 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.05 1.405 . . . . 0.0 108.731 170.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.3 t -111.74 76.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -5.5 27.08 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 52.1 74.95 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.176 1.39 . . . . 0.0 109.336 -172.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.313 0.0 OUTLIER -97.14 -87.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.476 0.71 . . . . 0.0 110.085 -171.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.428 ' HB2' HD21 ' A' ' 15' ' ' LEU . 72.2 m -67.86 127.89 34.47 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 123.798 0.839 . . . . 0.0 109.62 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.75 -15.54 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 121.403 -0.811 . . . . 0.0 112.539 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.33 -23.68 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 126.857 2.063 . . . . 0.0 112.004 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' A' ' 12' ' ' SER . 0.1 OUTLIER -100.64 -48.45 4.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.844 1.257 . . . . 0.0 109.496 177.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.95 -33.07 71.64 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -63.34 -31.68 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.503 1.121 . . . . 0.0 110.784 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.2 t -68.99 -38.7 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.321 1.448 . . . . 0.0 110.45 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -49.14 37.76 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 118.667 0.667 . . . . 0.0 109.737 -176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -68.66 -11.46 60.16 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.756 0.822 . . . . 0.0 112.253 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -15.95 45.44 Favored 'General case' 0 C--N 1.34 0.175 0 O-C-N 121.109 -0.995 . . . . 0.0 112.167 169.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD23 HE21 ' A' ' 65' ' ' GLN . 1.5 mm? -119.72 -84.25 0.66 Allowed 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.982 0.81 . . . . 0.0 112.345 -176.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.76 36.39 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.027 1.731 . . . . 0.0 112.255 -165.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.7 p -59.2 156.67 2.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.804 0.812 . . . . 0.0 110.086 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -120.37 117.09 26.84 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 127.924 2.49 . . . . 0.0 106.055 173.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.4 p -57.82 -40.08 79.17 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.661 0.743 . . . . 0.0 109.904 171.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -75.07 22.53 0.11 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.644 1.978 . . . . 0.0 112.927 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 155.94 49.37 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.874 -1.141 . . . . 0.0 108.626 171.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.48 -27.42 37.58 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 30' ' ' LEU . 2.3 tm? -60.4 -49.26 78.27 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.416 1.086 . . . . 0.0 111.254 -169.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -48.08 -48.99 33.23 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.564 0.62 . . . . 0.0 110.494 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.55 73.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 117.289 -1.338 . . . . 0.0 112.157 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -45.78 -41.99 11.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.808 1.186 . . . . 0.0 110.641 176.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -68.25 -63.16 1.11 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.1 -43.08 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.467 1.107 . . . . 0.0 110.113 -170.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -49.39 59.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.098 0.959 . . . . 0.0 112.231 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 37' ' ' LEU . 5.0 tt -64.61 -29.93 70.95 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.808 -0.558 . . . . 0.0 109.629 -171.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -52.9 -57.46 10.2 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.225 0.61 . . . . 0.0 112.062 171.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -30.5 69.62 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.138 -174.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -64.4 -1.15 1.56 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.169 1.388 . . . . 0.0 113.447 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.6 mm -82.99 -48.0 17.99 Favored 'Isoleucine or valine' 0 C--N 1.345 0.37 0 CA-C-N 121.311 1.869 . . . . 0.0 106.601 174.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -73.34 -18.48 61.18 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.151 1.381 . . . . 0.0 111.037 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.52 21.61 16.91 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.893 1.677 . . . . 0.0 109.231 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -93.47 167.18 11.87 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.384 1.088 . . . . 0.0 111.443 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -71.01 -58.33 3.68 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 126.255 1.822 . . . . 0.0 111.088 -166.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -137.94 173.37 11.7 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.84 1.656 . . . . 0.0 107.327 -170.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.9 m -61.53 -50.75 71.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.591 0.756 . . . . 0.0 111.908 -173.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.5 t -61.84 -47.08 86.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.25 -8.25 58.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.106 0.562 . . . . 0.0 111.631 -168.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 44' ' ' ALA . . . -75.61 -68.81 0.53 Allowed 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.015 1.326 . . . . 0.0 109.531 164.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -14.39 61.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.785 -1.166 . . . . 0.0 111.719 -168.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.34 -39.06 30.3 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.398 1.479 . . . . 0.0 112.726 172.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -84.56 -34.3 23.26 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.791 0.723 . . . . 0.0 111.539 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.93 -48.14 73.5 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.165 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.38 -17.46 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -90.18 -32.23 16.71 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.67 1.188 . . . . 0.0 109.257 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -61.2 -52.8 63.28 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 127.486 2.314 . . . . 0.0 110.1 178.128 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.13 -3.16 0.77 Allowed 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -118.31 -26.05 6.4 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 110.237 -175.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -30.69 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 120.53 -1.356 . . . . 0.0 110.282 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.24 -57.18 8.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -58.43 -37.01 74.52 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 119.263 -0.399 . . . . 0.0 111.393 -167.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -71.43 2.34 5.09 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.335 1.054 . . . . 0.0 112.148 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.17 -6.75 8.86 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 120.992 -1.068 . . . . 0.0 112.53 171.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.736 HE21 HD23 ' A' ' 22' ' ' LEU . 10.4 pt20 -160.09 -30.34 0.06 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.2 57.54 8.36 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.281 0.946 . . . . 0.0 115.218 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . -56.76 170.6 0.39 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.503 1.121 . . . . 0.0 113.133 170.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.55 -62.24 2.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.088 166.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -63.62 17.04 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 130.826 3.65 . . . . 0.0 115.429 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.594 HG23 HD22 ' A' ' 71' ' ' ASN . 10.3 tp -65.22 -28.88 45.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 120.114 -1.616 . . . . 0.0 112.598 -169.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.594 HD22 HG23 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -77.87 -16.63 58.12 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.45 -178.47 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.53 -49.23 64.29 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 120.183 1.356 . . . . 0.0 111.062 -170.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -62.62 -22.31 66.31 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.76 176.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.5 m -68.61 -53.81 20.36 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.488 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.55 -17.75 64.23 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.975 0.807 . . . . 0.0 111.523 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -72.88 -69.86 0.39 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.68 1.127 . . . . 0.0 108.914 163.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -70.26 -17.83 63.12 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -56.56 10.32 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.032 1.287 . . . . 0.0 108.182 168.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -36.94 78.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.861 0.864 . . . . 0.0 110.92 -176.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.33 -12.29 61.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.357 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.51 -7.33 15.78 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 119.651 1.114 . . . . 0.0 112.785 173.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.57 -17.77 22.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.647 1.579 . . . . 0.0 111.95 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.0 t -85.06 -9.85 57.53 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.016 -1.053 . . . . 0.0 112.363 -166.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 84' ' ' LEU . 2.4 mp -89.5 1.99 55.17 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.38 2.272 . . . . 0.0 111.403 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.221 -169.918 . . . . . . . . 0 0 . 1 stop_ save_