data_1z2f_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 1z2f _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 ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -83.58 128.01 34.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.32 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 p -80.59 -61.31 2.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.535 0.734 . . . . 0.0 109.488 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -156.58 8.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.01 1.724 . . . . 0.0 113.467 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 167.52 16.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.91 1.284 . . . . 0.0 111.5 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -102.73 135.68 43.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.32 118.07 22.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.5 p -69.98 168.59 15.06 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.171 0.51 . . . . 0.0 111.202 -174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.75 -26.5 45.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.725 1.21 . . . . 0.0 113.749 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -111.46 -4.3 14.89 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.352 0.661 . . . . 0.0 112.434 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.1 m -73.96 171.84 12.72 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -150.87 146.36 26.27 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.27 -0.894 . . . . 0.0 109.71 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 p -134.78 141.33 46.42 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.675 0.79 . . . . 0.0 109.603 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -147.23 128.89 6.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 pttt 34.22 47.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.485 2.314 . . . . 0.0 113.407 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -141.61 156.73 45.66 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.904 1.282 . . . . 0.0 108.937 -173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -116.51 143.71 45.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.787 0.835 . . . . 0.0 109.165 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 127.96 24.28 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 m -123.85 101.12 7.1 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.378 1.071 . . . . 0.0 109.411 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 51.52 35.75 15.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.204 1.401 . . . . 0.0 112.776 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 m -83.62 170.09 14.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.103 -0.998 . . . . 0.0 109.097 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.64 100.23 4.57 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mm -110.98 109.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -119.8 123.32 43.39 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.663 1.185 . . . . 0.0 108.941 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.88 35.49 0.23 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.788 2.035 . . . . 0.0 113.419 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -124.02 167.26 14.42 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.655 0.782 . . . . 0.0 112.831 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -127.34 124.09 37.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.387 1.075 . . . . 0.0 108.177 -169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.99 95.44 4.66 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.27 162.77 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 50.66 74.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.795 2.038 . . . . 0.0 113.275 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.2 m 50.95 37.71 18.26 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.42 1.888 . . . . 0.0 114.031 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 m -76.3 152.9 36.3 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.4 mt -138.77 128.76 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.53 149.65 50.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -143.03 121.43 12.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 41.27 38.18 0.74 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.895 2.078 . . . . 0.0 114.544 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -112.98 155.65 24.42 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.555 0.742 . . . . 0.0 110.641 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -106.6 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.503 1.521 . . . . 0.0 107.091 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -117.43 135.15 54.09 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.8 m -140.11 115.86 10.21 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 46.88 39.37 7.36 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.079 1.751 . . . . 0.0 113.271 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.06 167.23 14.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.088 1.355 . . . . 0.0 112.29 -169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -129.64 139.16 51.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 124.246 1.018 . . . . 0.0 109.131 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.46 135.6 46.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.85 133.0 41.04 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.382 1.073 . . . . 0.0 108.504 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttt 39.72 33.84 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.762 2.425 . . . . 0.0 115.626 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -110.11 161.49 15.5 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.474 -0.766 . . . . 0.0 109.318 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.88 116.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.74 -2.318 . . . . 0.0 104.74 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.268 1.5 m -130.39 133.7 46.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -168.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 m -136.3 128.39 29.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.299 1.04 . . . . 0.0 108.491 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 50.33 44.57 26.57 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.206 1.802 . . . . 0.0 113.248 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.49 167.53 10.24 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.55 -0.719 . . . . 0.0 111.165 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -132.22 111.68 11.61 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.0 mt -122.07 104.66 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 -169.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -115.74 128.75 56.1 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.6 36.97 1.93 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 113.8 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m -118.91 167.31 11.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.712 . . . . 0.0 111.187 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.87 130.06 46.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.051 1.741 . . . . 0.0 106.555 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.11 134.16 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -137.98 127.31 24.66 Favored 'General case' 0 C--O 1.23 0.052 0 C-N-CA 123.227 0.611 . . . . 0.0 109.403 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.02 43.6 1.32 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.49 1.916 . . . . 0.0 114.011 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -115.21 161.93 17.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.068 1.347 . . . . 0.0 109.381 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -122.38 95.87 4.81 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 t -91.74 127.99 37.41 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m -134.95 114.34 12.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.18 32.16 56.86 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.91 -0.939 . . . . 0.0 113.197 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -124.05 164.99 18.26 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.332 1.066 . . . . 0.0 111.907 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -120.21 136.09 54.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -119.91 131.65 55.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.63 103.0 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.59 43.67 85.01 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.734 -1.037 . . . . 0.0 112.751 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -124.44 166.42 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.089 1.444 . . . . 0.0 111.768 -173.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -124.69 123.38 39.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.8 tt -139.27 134.04 40.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 118.778 0.717 . . . . 0.0 109.221 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -136.61 144.64 44.19 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 51.62 32.58 9.36 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.509 1.523 . . . . 0.0 113.332 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -120.2 174.39 6.53 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.75 0.82 . . . . 0.0 111.75 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -137.16 137.43 39.18 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.833 1.253 . . . . 0.0 107.639 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -139.84 128.6 23.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.9 m -133.24 108.94 9.08 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.681 0.792 . . . . 0.0 109.243 -169.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 40.68 96.89 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.398 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 103' ' ' GLY . 76.0 p -116.03 167.26 11.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.055 1.428 . . . . 0.0 111.464 -172.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.6 m -137.12 123.56 20.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.3 mt -130.4 126.14 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -168.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 124.628 1.171 . . . . 0.0 110.659 -176.068 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.7 m -135.54 129.05 32.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -137.66 135.63 46.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 m -136.87 135.68 38.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.502 0.721 . . . . 0.0 109.196 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.7 p 48.84 39.31 13.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.8 m -105.4 160.35 15.21 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.169 0.988 . . . . 0.0 111.285 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 84.7 m -126.85 128.07 45.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.16 132.4 46.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -133.88 126.29 30.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 39.38 48.14 1.64 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.685 1.594 . . . . 0.0 113.601 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' H ' HG23 ' A' ' 86' ' ' THR . . . 89.05 -2.83 84.28 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.514 -1.159 . . . . 0.0 114.136 173.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -111.94 116.75 53.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 119.382 1.591 . . . . 0.0 107.533 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 123.353 0.661 . . . . 0.0 109.962 173.319 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.17 118.34 16.0 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -111.78 142.54 44.01 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.8 138.83 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -142.52 144.75 33.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.614 1.166 . . . . 0.0 108.458 170.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.1 51.24 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.813 1.197 . . . . 0.0 114.682 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.8 t -119.07 162.16 19.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.906 1.353 . . . . 0.0 112.442 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.6 m -131.11 140.97 50.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 126.355 1.862 . . . . 0.0 107.303 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.1 mt -118.44 150.64 39.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.631 1.172 . . . . 0.0 108.164 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 p -154.2 160.34 41.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.147 0.979 . . . . 0.0 109.254 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.72 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 171.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.348 169.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -132.92 136.03 45.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.251 0.478 . . . . 0.0 110.317 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 m -126.06 96.94 4.9 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.328 1.851 . . . . 0.0 106.356 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t30 55.87 16.37 2.06 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.14 2.176 . . . . 0.0 116.254 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -74.21 159.6 32.29 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.41 -1.431 . . . . 0.0 110.321 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -111.92 134.25 53.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.88 115.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 p -70.77 170.62 12.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.498 0.666 . . . . 0.0 111.884 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -28.69 66.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.434 1.093 . . . . 0.0 113.804 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -111.72 31.17 6.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.036 0.934 . . . . 0.0 110.977 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -128.11 155.72 43.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.186 1.394 . . . . 0.0 109.096 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -148.54 153.67 38.72 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.543 0.737 . . . . 0.0 109.362 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -125.39 49.01 1.95 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.43 1.492 . . . . 0.0 109.692 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' ' H ' ' A' ' 20' ' ' SER . 22.3 t -54.19 112.51 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.966 1.706 . . . . 0.0 110.776 -169.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 59.99 -22.02 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.805 2.842 . . . . 0.0 114.838 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 18' ' ' VAL . 29.7 m -60.54 155.34 18.79 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 125.398 1.479 . . . . 0.0 112.622 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.8 m -94.45 145.07 25.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.06 124.67 16.83 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 m -124.19 111.99 16.53 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.76 43.28 2.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.911 2.485 . . . . 0.0 113.471 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 170.92 10.69 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.481 0.713 . . . . 0.0 109.405 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -134.17 116.33 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -124.3 108.34 20.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -169.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.01 115.2 27.24 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.799 1.639 . . . . 0.0 108.591 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t30 44.15 34.52 1.0 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.969 1.708 . . . . 0.0 113.606 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -126.05 156.35 40.08 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.225 1.01 . . . . 0.0 111.217 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -129.76 134.56 47.67 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.67 93.25 3.29 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 -170.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.88 176.27 3.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -167.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.4 t0 56.99 49.54 13.72 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.167 1.787 . . . . 0.0 111.594 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 57.24 44.8 21.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.673 1.189 . . . . 0.0 112.793 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -71.64 176.81 4.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 168.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.56 136.45 35.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.451 -0.781 . . . . 0.0 109.046 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.24 144.06 47.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -139.93 104.3 4.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 51.84 49.57 20.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.712 1.605 . . . . 0.0 111.439 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.4 m -124.75 154.4 40.95 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.945 0.898 . . . . 0.0 111.005 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -107.54 141.13 39.46 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.036 1.734 . . . . 0.0 108.326 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -138.39 129.66 27.32 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.43 114.52 8.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.6 t70 46.04 38.18 4.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.618 1.967 . . . . 0.0 113.939 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.59 16.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.347 1.459 . . . . 0.0 111.709 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -128.58 140.67 51.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 123.916 0.886 . . . . 0.0 109.018 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.0 136.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -137.7 129.64 28.77 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt 37.22 48.34 0.77 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.213 2.205 . . . . 0.0 113.239 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.5 m -119.11 168.28 11.0 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.363 -0.835 . . . . 0.0 109.351 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.5 130.55 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -134.71 156.51 48.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.598 1.09 . . . . 0.0 113.229 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.7 m -148.46 113.01 5.33 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 51.17 74.94 0.21 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.0 1.72 . . . . 0.0 112.012 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.7 t -124.05 158.66 31.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.15 0.98 . . . . 0.0 109.292 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -135.47 119.62 17.67 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.14 104.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.403 -1.702 . . . . 0.0 106.403 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.21 126.87 54.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 52.09 19.99 1.18 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.168 1.787 . . . . 0.0 114.555 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.2 m -106.44 166.2 10.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.588 0.755 . . . . 0.0 111.074 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -128.42 120.81 27.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -127.5 135.51 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.845 0.858 . . . . 0.0 108.806 -168.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -140.31 127.28 20.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -174.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 mp 48.28 28.65 1.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.592 1.557 . . . . 0.0 113.952 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -107.96 160.56 15.68 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.325 1.05 . . . . 0.0 110.269 -169.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.2 m -123.88 128.71 49.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.685 1.194 . . . . 0.0 108.197 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.2 t -124.11 121.48 35.26 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.269 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.2 m -131.64 112.16 12.33 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.15 34.28 58.49 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.447 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.2 m -128.78 174.55 9.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.313 1.056 . . . . 0.0 111.686 -169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -148.33 138.71 22.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.478 -0.764 . . . . 0.0 109.938 -169.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -125.37 139.05 54.01 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.835 1.254 . . . . 0.0 107.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.22 115.07 11.39 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.054 0.941 . . . . 0.0 108.956 173.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.57 44.73 95.36 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.579 1.085 . . . . 0.0 113.705 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 159.87 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 118.933 1.367 . . . . 0.0 111.475 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.56 124.9 53.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.14 132.19 42.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 119.603 1.092 . . . . 0.0 108.914 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -132.76 132.79 42.65 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -169.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 50.26 32.06 5.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.789 1.235 . . . . 0.0 113.542 169.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -116.08 172.86 6.9 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.755 0.822 . . . . 0.0 111.443 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 m -134.92 134.05 40.23 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 p -134.46 128.87 34.31 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 m -132.17 124.62 29.42 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 108.995 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.31 37.55 48.01 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.104 -1.387 . . . . 0.0 113.676 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -135.75 155.22 50.72 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.067 1.933 . . . . 0.0 111.039 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -116.21 144.34 44.33 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mt -138.0 129.46 38.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.235 0.305 0 C-N-CA 124.167 0.987 . . . . 0.0 109.848 -174.318 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -139.1 130.27 26.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 mt -138.16 139.46 42.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 125.043 1.337 . . . . 0.0 107.432 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.0 m -141.13 143.92 34.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.0 p 46.52 34.92 2.59 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.868 2.067 . . . . 0.0 114.243 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.7 t -108.88 163.27 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.962 0.905 . . . . 0.0 110.704 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 m -126.07 133.54 51.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.88 130.99 41.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 m -133.71 125.04 27.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 40.99 51.15 3.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.485 1.514 . . . . 0.0 113.454 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.77 4.2 87.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.449 -1.195 . . . . 0.0 113.74 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.3 t -123.97 117.79 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 119.401 1.6 . . . . 0.0 108.025 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.358 0 C-N-CA 123.575 0.75 . . . . 0.0 110.118 172.372 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.57 126.23 29.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 118.929 0.786 . . . . 0.0 109.133 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 136.0 54.43 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 169.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.55 135.6 26.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 m -145.48 132.13 19.92 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.842 1.257 . . . . 0.0 108.768 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.88 25.57 73.15 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 119.04 -0.866 . . . . 0.0 114.086 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.1 m -110.37 162.56 14.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.599 1.199 . . . . 0.0 112.084 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 m -129.15 145.68 51.25 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.442 1.897 . . . . 0.0 106.511 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.12 146.93 50.95 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.624 1.17 . . . . 0.0 108.836 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -147.39 148.55 31.44 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 108.72 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.42 140.9 55.81 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 60.3 tpp . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.5 116.07 17.78 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -79.07 -57.85 3.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.804 0.841 . . . . 0.0 110.1 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -162.04 34.28 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.07 1.348 . . . . 0.0 110.639 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 m -103.79 163.99 11.98 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.71 1.604 . . . . 0.0 110.436 -170.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.24 132.16 55.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -128.33 122.58 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -71.13 166.65 21.0 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.965 0.802 . . . . 0.0 110.923 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -26.34 57.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 0.0 113.729 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.47 -2.49 15.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.623 0.769 . . . . 0.0 112.275 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -72.17 172.18 10.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 109.965 169.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -135.91 143.76 45.15 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.953 1.301 . . . . 0.0 107.792 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.21 110.98 6.5 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 104.414 -2.439 . . . . 0.0 104.414 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.97 124.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt 60.37 -22.41 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.468 2.707 . . . . 0.0 115.559 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -60.97 174.69 0.59 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.96 1.704 . . . . 0.0 113.233 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -118.77 144.36 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.29 128.93 22.96 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.67 88.51 2.9 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -172.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 46.67 51.77 11.85 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.572 1.949 . . . . 0.0 112.708 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.92 171.56 9.21 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -134.65 110.38 9.25 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -116.34 109.11 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -170.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -119.43 119.95 35.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.854 1.262 . . . . 0.0 108.36 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t30 39.53 38.01 0.35 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.695 1.998 . . . . 0.0 113.06 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -125.07 163.58 22.08 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 123.908 0.883 . . . . 0.0 111.855 -169.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -125.83 93.27 3.79 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.058 0.943 . . . . 0.0 108.504 -170.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.4 tp -87.64 87.78 7.48 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.87 175.11 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -168.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.8 66.61 0.79 Allowed 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.924 2.489 . . . . 0.0 112.657 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.59 38.79 30.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 170.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -73.21 172.79 10.47 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.5 tt -142.1 145.03 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 O-C-N 121.028 -1.045 . . . . 0.0 110.139 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.2 p -136.42 152.43 50.59 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.928 0.491 . . . . 0.0 109.854 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -141.58 106.31 4.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.3 ttp85 46.38 39.12 6.03 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.536 1.535 . . . . 0.0 113.138 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -102.74 160.0 14.98 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.127 0.571 . . . . 0.0 109.865 172.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -114.83 132.57 56.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 125.694 1.597 . . . . 0.0 107.297 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -123.48 132.01 53.8 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -137.06 116.06 12.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 46.54 42.4 11.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.561 1.944 . . . . 0.0 112.654 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.96 169.88 12.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.64 1.576 . . . . 0.0 112.398 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -133.03 143.98 49.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.23 1.012 . . . . 0.0 109.317 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.8 t -141.2 131.64 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.854 1.262 . . . . 0.0 108.004 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -139.24 117.27 11.74 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 34.87 52.72 0.61 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.466 1.906 . . . . 0.0 113.093 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -123.0 164.76 17.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.89 134.35 66.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t -145.17 146.25 31.68 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.306 -0.957 . . . . 0.0 112.803 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.4 m -136.86 128.81 29.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.759 1.223 . . . . 0.0 107.732 169.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.4 t0 46.35 59.2 3.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.491 1.916 . . . . 0.0 112.823 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.34 161.09 28.63 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.61 1.164 . . . . 0.0 108.603 -171.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -128.93 129.61 45.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.77 112.67 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.91 127.51 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.941 0.896 . . . . 0.0 108.958 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 43.54 43.94 4.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.5 1.52 . . . . 0.0 113.269 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -127.24 165.77 19.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.749 0.82 . . . . 0.0 110.256 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -125.7 136.76 53.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.74 130.22 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -168.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -138.95 131.9 29.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.206 1.003 . . . . 0.0 108.629 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt 47.12 25.53 0.53 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.009 1.324 . . . . 0.0 114.093 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.161 0.984 . . . . 0.0 110.778 -169.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 128.5 46.11 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.739 1.216 . . . . 0.0 108.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t -120.36 134.82 55.2 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.999 0.92 . . . . 0.0 109.609 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 m -134.79 121.92 21.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.24 35.3 64.74 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.832 -0.982 . . . . 0.0 113.797 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 m -131.49 174.52 10.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.555 1.177 . . . . 0.0 111.321 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.36 130.63 35.26 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -169.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -121.64 132.49 54.69 Favored 'General case' 0 N--CA 1.46 0.059 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.77 124.93 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 170.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.26 39.54 97.35 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.852 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 161.96 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.843 1.321 . . . . 0.0 111.658 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -124.36 117.07 23.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.053 -2.943 . . . . 0.0 103.053 169.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -132.12 131.22 61.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -172.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -133.26 130.89 39.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.746 0.818 . . . . 0.0 108.915 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m 52.41 32.53 11.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.731 1.213 . . . . 0.0 113.388 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -119.67 174.49 6.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.947 0.899 . . . . 0.0 111.36 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -135.79 140.02 43.95 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -133.37 140.75 47.55 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.0 m -144.92 125.94 14.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.37 47.21 56.88 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-O 119.051 -0.861 . . . . 0.0 112.653 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 t -144.49 166.02 26.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.913 1.857 . . . . 0.0 110.166 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.1 m -129.72 133.35 46.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.8 mm -127.53 136.11 61.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 105.709 -1.959 . . . . 0.0 105.709 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.237 0.443 0 C-N-CA 124.422 1.089 . . . . 0.0 110.34 -171.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.9 m -139.99 127.55 21.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.654 1.582 . . . . 0.0 107.334 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.9 mt -138.25 134.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.411 1.485 . . . . 0.0 107.233 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.5 m -139.02 138.32 37.1 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.771 0.828 . . . . 0.0 109.755 171.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.269 6.1 p 46.93 36.56 4.1 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.621 1.968 . . . . 0.0 114.5 174.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 89.7 m -100.52 162.74 12.73 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.161 0.985 . . . . 0.0 110.937 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.5 m -129.5 131.35 46.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 168.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -135.15 125.56 44.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.7 m -134.74 127.35 30.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 43.95 46.62 6.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.407 1.083 . . . . 0.0 112.136 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.84 81.02 Favored Glycine 0 CA--C 1.529 0.969 0 CA-C-O 118.797 -1.002 . . . . 0.0 113.883 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -123.91 114.69 42.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 170.457 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 118.975 -0.536 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -74.34 130.68 40.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 119.257 0.935 . . . . 0.0 108.942 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.23 130.57 44.78 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -142.51 146.43 22.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 124.401 1.081 . . . . 0.0 108.857 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.8 m -157.69 147.74 20.47 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.497 1.119 . . . . 0.0 109.341 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.27 70.05 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.039 -0.867 . . . . 0.0 114.288 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.8 m -110.2 158.55 18.24 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.723 1.262 . . . . 0.0 111.785 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.9 m -132.9 140.46 47.89 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 104.699 -2.334 . . . . 0.0 104.699 169.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -147.27 163.78 35.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.935 0.789 . . . . 0.0 112.002 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -150.38 161.14 43.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.585 1.554 . . . . 0.0 109.774 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.04 143.74 35.33 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 C--O 1.248 1.002 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 169.153 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -73.56 112.69 9.89 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -82.07 -56.51 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -163.0 53.05 0.18 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.854 1.662 . . . . 0.0 107.652 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -119.97 166.31 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.711 1.604 . . . . 0.0 111.89 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -126.95 137.85 53.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.984 1.314 . . . . 0.0 108.139 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -135.76 116.4 18.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -69.07 164.34 22.68 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.258 0.552 . . . . 0.0 111.058 -177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.38 59.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -112.12 -1.67 15.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.454 0.702 . . . . 0.0 112.222 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.9 m -73.29 172.78 10.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.366 0.666 . . . . 0.0 110.286 169.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -140.11 147.21 39.89 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -134.83 128.94 33.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -141.4 125.69 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt 34.19 50.79 0.39 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.48 2.312 . . . . 0.0 113.724 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -134.38 171.34 14.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.003 1.321 . . . . 0.0 108.576 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -124.58 136.5 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 107.48 8.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -99.56 75.68 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.19 78.1 0.24 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 125.342 1.457 . . . . 0.0 110.73 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.6 m -123.08 167.48 13.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.683 0.793 . . . . 0.0 109.056 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -132.03 135.46 46.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mt -137.13 107.41 5.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.45 114.07 26.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 126.153 1.781 . . . . 0.0 108.17 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t30 40.59 40.21 0.87 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.084 1.754 . . . . 0.0 113.664 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -125.67 167.74 14.7 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.204 1.001 . . . . 0.0 111.646 -169.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -129.81 115.81 17.81 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 tp -116.45 97.93 6.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -127.33 165.49 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 37.5 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 128.227 2.611 . . . . 0.0 114.638 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m 51.22 30.55 5.88 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.498 1.519 . . . . 0.0 113.195 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -74.24 144.97 44.45 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.9 120.17 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.06 -2.57 . . . . 0.0 104.06 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -128.03 155.05 44.94 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -144.78 132.46 21.07 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 50.81 25.31 2.08 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.772 1.629 . . . . 0.0 113.807 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -111.22 162.48 14.92 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.151 -0.968 . . . . 0.0 112.846 -169.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.99 137.81 54.24 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.832 1.653 . . . . 0.0 107.739 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.26 127.55 33.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 m -134.35 120.42 19.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 43.57 41.39 3.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.594 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.14 164.08 18.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.082 1.353 . . . . 0.0 112.164 -169.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -125.05 141.51 52.08 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.516 1.126 . . . . 0.0 108.421 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.56 133.36 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -139.4 135.88 34.13 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.508 1.123 . . . . 0.0 108.272 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 39.02 36.8 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.54 1.936 . . . . 0.0 115.026 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 p -68.13 162.69 24.19 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.944 -1.098 . . . . 0.0 111.843 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.41 84.06 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 102.436 -3.172 . . . . 0.0 102.436 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.269 1.3 m -118.47 138.2 52.65 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 123.61 0.764 . . . . 0.0 109.805 -167.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -136.65 126.24 25.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.1 t70 49.56 50.05 18.89 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.446 1.898 . . . . 0.0 113.285 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.83 163.6 15.93 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 121.576 -0.702 . . . . 0.0 111.566 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -131.28 106.3 8.21 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -120.12 118.27 56.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -168.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -126.93 132.42 50.87 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.745 0.818 . . . . 0.0 109.572 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt 48.03 31.08 2.28 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.933 1.693 . . . . 0.0 113.685 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -116.37 168.63 9.97 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.428 0.691 . . . . 0.0 111.659 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.58 126.44 40.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.45 129.64 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -169.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.52 123.7 21.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.44 31.32 2.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.218 1.807 . . . . 0.0 113.343 174.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -109.72 152.31 25.8 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.403 1.081 . . . . 0.0 110.073 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.9 m -110.73 136.49 49.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.317 1.447 . . . . 0.0 107.907 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 33.2 t -136.57 133.25 36.19 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 m -137.65 115.57 11.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.38 38.71 63.06 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.779 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -130.99 169.75 15.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.241 1.021 . . . . 0.0 111.623 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.59 140.14 51.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -119.9 140.36 50.99 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 170.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -138.83 117.38 12.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 170.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 44.15 98.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.678 -1.068 . . . . 0.0 113.253 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.93 163.58 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 118.904 1.352 . . . . 0.0 111.089 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -129.37 113.57 15.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.843 -2.651 . . . . 0.0 103.843 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -133.25 134.93 57.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.634 0.652 . . . . 0.0 109.892 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -132.77 134.57 44.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.214 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 49.22 33.42 5.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.895 1.278 . . . . 0.0 113.775 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -116.93 175.49 5.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.734 0.814 . . . . 0.0 111.587 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -134.19 141.55 47.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.535 1.134 . . . . 0.0 108.405 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -139.0 143.21 38.38 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.037 1.335 . . . . 0.0 107.61 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.3 m -153.16 120.06 5.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.228 1.011 . . . . 0.0 109.047 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.49 41.43 88.54 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.654 0.645 . . . . 0.0 111.595 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.421 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -122.12 162.67 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.958 1.303 . . . . 0.0 111.906 -169.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 m -136.61 123.53 21.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 168.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -122.81 127.23 74.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 123.7 0.8 . . . . 0.0 109.9 -173.59 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -137.34 126.12 23.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.49 1.516 . . . . 0.0 107.257 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.0 mt -137.82 136.02 45.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -136.38 143.53 44.08 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p 43.82 43.14 4.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.471 1.908 . . . . 0.0 113.794 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.5 t -117.49 165.52 13.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.148 0.979 . . . . 0.0 110.393 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.2 m -129.24 131.21 47.0 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.1 mt -133.94 142.66 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.0 m -147.89 136.45 21.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 37.5 50.06 1.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.756 1.623 . . . . 0.0 113.419 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 78.78 6.03 88.51 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.315 -1.269 . . . . 0.0 114.546 173.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.88 122.99 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.565 1.682 . . . . 0.0 107.573 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.242 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 118.723 -0.656 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.81 128.73 36.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.952 0.797 . . . . 0.0 108.904 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -132.97 135.12 45.31 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 tt -145.18 147.7 18.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 124.561 1.144 . . . . 0.0 109.099 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.2 m -158.61 146.88 18.38 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.751 1.221 . . . . 0.0 109.464 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.53 72.19 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.156 -0.802 . . . . 0.0 114.076 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.08 160.48 18.12 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.519 1.16 . . . . 0.0 112.035 -171.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 m -130.52 142.12 50.48 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.848 2.059 . . . . 0.0 105.797 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.5 mt -128.74 139.17 52.34 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.7 m -143.13 153.38 42.83 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.589 1.156 . . . . 0.0 108.803 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.08 143.74 43.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.868 -1.063 . . . . 0.0 108.583 171.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.86 98.42 2.98 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -66.42 -55.5 15.47 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -170.25 81.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.031 1.732 . . . . 0.0 107.937 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -145.36 168.59 20.13 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.371 1.468 . . . . 0.0 110.234 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -121.42 134.41 55.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.043 1.337 . . . . 0.0 108.2 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mt -130.74 119.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -69.96 164.89 22.9 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.293 0.568 . . . . 0.0 111.367 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -26.98 58.36 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.968 1.307 . . . . 0.0 114.304 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -113.8 1.18 14.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.59 0.756 . . . . 0.0 112.207 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -74.37 174.8 8.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.089 0.556 . . . . 0.0 109.787 169.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -142.51 144.02 32.79 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.2 t -138.95 106.66 5.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.01 131.63 71.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 118.899 0.772 . . . . 0.0 109.347 -169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt 36.04 43.37 0.2 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.477 2.311 . . . . 0.0 114.262 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 m -135.31 173.76 11.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.399 1.48 . . . . 0.0 108.33 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 m -113.1 144.37 42.75 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.73 117.78 10.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.658 0.663 . . . . 0.0 109.864 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.1 m -128.61 121.91 29.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 110.197 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.88 54.87 9.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.375 1.87 . . . . 0.0 111.153 -175.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.3 m -126.76 163.03 24.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.317 0.579 . . . . 0.0 111.745 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -137.7 118.34 13.98 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.37 105.75 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.77 116.86 31.4 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 126.125 1.77 . . . . 0.0 108.467 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.82 35.6 0.23 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.309 1.844 . . . . 0.0 114.299 -171.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -119.72 161.21 21.11 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.293 1.037 . . . . 0.0 111.697 -169.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -126.61 100.29 6.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.469 1.107 . . . . 0.0 108.368 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.54 121.85 37.66 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.12 160.7 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 118.883 0.765 . . . . 0.0 112.387 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.43 77.82 0.1 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 127.75 2.42 . . . . 0.0 114.556 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.57 36.96 18.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.895 1.678 . . . . 0.0 113.742 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -79.06 171.36 15.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 tt -141.19 131.81 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.3 t -107.31 131.01 54.69 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.49 120.06 16.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 52.28 31.22 8.99 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.792 1.237 . . . . 0.0 112.527 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -120.81 166.21 14.08 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.796 0.807 . . . . 0.0 112.048 -169.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -126.7 132.07 51.23 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.911 1.285 . . . . 0.0 108.377 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -122.41 134.71 54.61 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 m -139.27 117.6 11.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 108.191 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.13 41.32 2.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.75 2.02 . . . . 0.0 113.248 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 168.26 14.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.045 1.338 . . . . 0.0 111.828 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -132.47 139.06 47.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.49 0.716 . . . . 0.0 109.8 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -135.96 126.59 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -135.63 124.23 23.66 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -169.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 34.92 48.52 0.33 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.716 2.007 . . . . 0.0 113.141 -172.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -125.57 158.86 33.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.9 t -117.63 133.01 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 -170.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 147.42 52.15 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.215 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -145.73 114.1 6.68 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.15 71.9 0.4 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.231 1.413 . . . . 0.0 111.769 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.26 154.87 44.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 109.035 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -135.78 112.39 10.05 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.2 mt -121.18 110.92 29.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -169.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -117.97 127.9 54.28 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 50.16 35.78 10.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.688 1.595 . . . . 0.0 113.342 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -123.63 164.95 18.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.627 0.771 . . . . 0.0 111.129 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -126.55 133.13 51.18 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.82 129.63 51.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 108.529 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -135.46 131.61 36.37 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.297 0.639 . . . . 0.0 109.624 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp 45.59 37.28 3.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.384 1.474 . . . . 0.0 112.85 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -118.82 159.73 23.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.45 1.1 . . . . 0.0 110.466 -169.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -126.47 106.65 9.61 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.708 1.203 . . . . 0.0 108.467 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.7 123.06 40.28 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.19 0.996 . . . . 0.0 108.808 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 m -132.63 116.17 16.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.03 42.31 39.11 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 m -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.529 1.132 . . . . 0.0 109.274 -169.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -138.37 145.33 40.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -128.17 124.28 36.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -136.51 99.37 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.24 47.27 65.0 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 118.815 -0.992 . . . . 0.0 112.246 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.09 166.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.684 1.242 . . . . 0.0 111.804 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -123.8 127.19 47.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.7 tt -141.39 133.68 29.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 118.617 0.644 . . . . 0.0 109.55 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -134.33 148.25 50.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m 52.62 29.94 7.96 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.114 1.366 . . . . 0.0 113.316 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -122.16 172.83 7.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.896 0.771 . . . . 0.0 112.653 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -137.05 138.04 40.01 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.8 p -137.3 129.85 29.94 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -135.44 112.59 10.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.517 1.127 . . . . 0.0 108.714 -171.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.97 95.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.5 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.7 OUTLIER -139.55 105.98 5.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.28 1.04 . . . . 0.0 112.775 -168.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -82.53 133.02 35.19 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -136.72 135.24 48.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 125.432 1.493 . . . . 0.0 110.535 -174.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 120.893 0.377 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -137.59 125.89 23.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.915 2.086 . . . . 0.0 105.872 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.25 139.51 49.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 m -146.47 142.61 28.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.687 -0.633 . . . . 0.0 110.601 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 p 47.28 38.09 6.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.85 1.66 . . . . 0.0 113.512 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.4 t -119.42 158.79 25.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.128 0.971 . . . . 0.0 110.451 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -123.95 135.87 53.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -137.49 133.24 45.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -175.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.3 m -134.67 129.57 35.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 45.16 39.75 4.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.548 1.539 . . . . 0.0 114.02 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.5 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 85.63 9.17 79.05 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.592 -1.115 . . . . 0.0 114.066 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.18 118.81 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.245 1.522 . . . . 0.0 107.442 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.33 0 C-N-CA 123.588 0.755 . . . . 0.0 110.201 174.754 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.07 132.95 48.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.937 0.79 . . . . 0.0 109.291 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -131.82 133.97 45.27 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 169.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.59 131.28 24.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -146.47 139.43 25.5 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.429 1.091 . . . . 0.0 108.334 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.66 17.06 64.28 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 118.837 -0.98 . . . . 0.0 114.857 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.2 m -101.25 162.76 12.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.58 1.19 . . . . 0.0 112.209 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -133.49 143.23 48.67 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.73 152.94 49.53 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 m -135.23 12.79 3.55 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.917 0.887 . . . . 0.0 112.145 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.89 -144.64 0.42 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.102 1.361 . . . . 0.0 111.05 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 C--O 1.249 1.039 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 171.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -69.32 113.17 6.4 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.9 m -85.04 -48.76 8.9 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.428 0.691 . . . . 0.0 109.833 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -162.31 28.2 0.11 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.647 0.779 . . . . 0.0 111.86 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -100.28 166.45 10.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.862 1.265 . . . . 0.0 111.096 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -113.46 120.9 42.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.885 0.874 . . . . 0.0 108.856 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mm -118.29 117.73 55.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.257 -2.497 . . . . 0.0 104.257 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -69.75 168.76 14.33 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.44 0.638 . . . . 0.0 112.078 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.99 65.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.459 1.104 . . . . 0.0 113.746 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -111.74 26.7 10.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.05 0.94 . . . . 0.0 111.142 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -121.99 160.15 25.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.358 1.463 . . . . 0.0 109.398 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -143.93 153.2 42.04 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.769 0.828 . . . . 0.0 109.335 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 p -133.03 24.88 4.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.437 1.895 . . . . 0.0 111.321 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.07 129.35 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.64 1.176 . . . . 0.0 111.866 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt 55.15 6.56 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.137 2.175 . . . . 0.0 114.093 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -112.43 154.08 26.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.543 1.065 . . . . 0.0 111.865 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -94.6 140.49 29.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.92 116.95 17.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.23 91.96 3.83 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -170.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 45.37 56.29 5.78 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.126 2.17 . . . . 0.0 113.737 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.32 172.35 6.85 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.913 1.285 . . . . 0.0 109.927 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.38 120.32 25.34 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 169.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 mt -120.33 106.47 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.9 114.23 27.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.888 1.675 . . . . 0.0 108.84 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t30 42.64 37.67 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.798 1.639 . . . . 0.0 112.759 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -127.29 160.68 30.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.424 1.09 . . . . 0.0 111.169 -169.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -125.47 136.46 53.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -132.56 109.05 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.4 164.12 24.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -169.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t0 53.31 65.27 1.56 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 126.898 2.079 . . . . 0.0 112.441 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.265 1.3 m 48.44 46.27 20.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.265 1.579 . . . . 0.0 115.265 -175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 m -76.48 162.82 27.51 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 166.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.4 100.45 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.7 t -86.01 140.63 30.12 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.95 117.39 13.72 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 173.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 42.36 35.38 0.62 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.586 2.354 . . . . 0.0 114.649 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.6 m -109.16 164.5 12.38 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.887 0.875 . . . . 0.0 110.589 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -111.89 123.81 51.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.658 1.583 . . . . 0.0 106.913 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -114.92 136.07 53.52 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -141.6 116.99 10.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 44.65 40.07 3.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.674 1.99 . . . . 0.0 113.846 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.49 10.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.232 1.413 . . . . 0.0 112.363 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -133.83 140.15 46.71 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.988 0.915 . . . . 0.0 109.826 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 124.6 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.883 1.673 . . . . 0.0 106.616 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.32 126.02 27.18 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.416 0.686 . . . . 0.0 109.428 -172.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 33.41 50.11 0.26 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.376 1.871 . . . . 0.0 112.634 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.21 158.36 39.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.8 t -116.74 140.18 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 p -131.07 145.3 51.96 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 m -136.89 116.69 13.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.91 50.91 17.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.389 1.476 . . . . 0.0 112.456 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.0 m -110.18 164.56 12.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.327 0.651 . . . . 0.0 110.213 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -130.81 112.47 13.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.77 109.38 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 -169.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -120.86 125.81 48.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -169.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 50.47 26.98 2.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.922 1.289 . . . . 0.0 113.806 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -116.16 166.88 11.52 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.744 0.817 . . . . 0.0 111.167 -169.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -130.04 131.42 45.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.19 129.67 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -169.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.68 135.75 35.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.267 0.627 . . . . 0.0 109.983 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt 47.12 28.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.386 1.074 . . . . 0.0 113.881 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -114.06 159.83 19.57 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.903 -1.123 . . . . 0.0 111.316 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -123.47 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.2 t -82.9 129.73 35.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 119.94 18.3 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.83 47.13 13.97 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.91 -0.939 . . . . 0.0 112.636 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -132.48 159.03 40.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.475 1.137 . . . . 0.0 110.522 -169.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -117.88 122.78 44.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -113.65 128.28 56.37 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -137.1 110.01 7.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.829 1.195 . . . . 0.0 109.562 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.43 38.95 97.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 118.603 -1.109 . . . . 0.0 113.031 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pp -123.59 166.68 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.21 1.505 . . . . 0.0 111.33 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -126.74 129.15 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.7 tt -140.74 133.85 32.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -136.21 140.32 43.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.76 0.424 . . . . 0.0 110.958 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 52.23 33.44 12.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.611 1.564 . . . . 0.0 113.442 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -122.88 175.53 6.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.913 0.885 . . . . 0.0 112.112 -169.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -136.84 143.23 42.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.5 p -133.88 153.73 51.55 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.0 m -156.63 109.75 2.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.137 -0.977 . . . . 0.0 109.263 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 49.74 60.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.468 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -138.05 129.15 27.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.415 0.608 . . . . 0.0 111.578 -168.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -95.9 134.44 38.9 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -139.37 121.15 16.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.902 0.881 . . . . 0.0 110.569 -173.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.4 m -134.78 131.85 38.01 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.674 1.589 . . . . 0.0 107.088 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 79.4 mt -134.5 132.46 54.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 m -134.81 132.22 38.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.091 0.956 . . . . 0.0 108.858 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.254 2.8 p 48.88 36.92 9.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.173 1.389 . . . . 0.0 114.063 170.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.22 162.28 13.04 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.393 1.077 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 91.2 m -127.34 128.17 45.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 168.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 mt -133.94 136.94 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -150.46 134.87 17.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 42.63 46.71 4.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 112.455 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.468 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.96 4.21 88.7 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.075 -1.403 . . . . 0.0 114.649 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.2 t -126.58 127.93 70.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 119.969 1.885 . . . . 0.0 108.38 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 0 C-N-CA 123.791 0.836 . . . . 0.0 109.853 173.228 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.3 126.09 30.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.417 0.553 . . . . 0.0 109.758 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -125.22 136.8 53.92 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 tt -141.46 149.58 20.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.706 1.202 . . . . 0.0 108.363 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -155.12 152.34 29.37 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.194 0.998 . . . . 0.0 109.68 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.0 35.66 54.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.37 1.462 . . . . 0.0 113.382 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.34 161.32 24.92 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.171 0.986 . . . . 0.0 113.108 -169.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 m -131.26 140.63 49.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.923 2.089 . . . . 0.0 106.334 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.08 142.71 50.81 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m -141.39 150.96 43.05 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.794 0.838 . . . . 0.0 108.957 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.78 168.94 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.601 0.715 . . . . 0.0 111.046 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 51.8 mtt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.264 1.826 . . . . 0.0 106.197 169.719 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--O 1.233 0.193 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -135.96 138.98 42.86 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.064 0.545 . . . . 0.0 110.258 -174.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.3 m -127.98 94.69 3.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 55.17 17.15 1.87 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.211 2.204 . . . . 0.0 116.456 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -75.63 157.85 33.19 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.493 -1.379 . . . . 0.0 110.632 171.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.0 138.17 31.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 169.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -135.76 109.75 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.24 167.64 17.51 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.891 0.377 . . . . 0.0 110.931 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -27.69 51.14 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -170.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -115.01 -1.85 12.97 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.6 0.76 . . . . 0.0 112.151 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -73.96 160.36 31.46 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -147.17 141.68 26.5 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -172.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.98 145.25 39.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.16 122.51 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 58.74 -20.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.613 2.765 . . . . 0.0 115.594 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -60.09 162.85 5.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.922 1.689 . . . . 0.0 113.362 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 126.46 44.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.61 128.18 50.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -121.86 105.13 10.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.267 0.627 . . . . 0.0 109.672 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.72 44.38 5.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.009 2.124 . . . . 0.0 112.426 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.8 m -90.07 170.84 9.99 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.791 0.836 . . . . 0.0 108.792 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.32 109.38 9.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mt -114.03 121.41 66.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 -173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 112.69 17.67 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.594 1.558 . . . . 0.0 108.33 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 t30 42.02 35.39 0.55 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.207 1.803 . . . . 0.0 113.675 -171.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.4 m -122.15 162.23 21.69 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.127 0.971 . . . . 0.0 111.28 -169.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -125.12 133.04 53.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -134.4 87.35 2.35 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.89 175.45 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 55.84 47.87 19.32 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 127.305 2.242 . . . . 0.0 112.263 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 62.57 44.21 7.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.153 1.381 . . . . 0.0 113.39 -178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.22 158.18 34.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -137.79 128.01 36.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.0 p -128.52 154.93 45.63 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.119 0.485 . . . . 0.0 110.615 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -150.14 122.42 8.39 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 46.48 38.0 4.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.606 1.963 . . . . 0.0 114.724 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -110.47 165.67 11.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.874 0.869 . . . . 0.0 111.537 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -122.74 140.32 53.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.19 1.796 . . . . 0.0 108.609 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -139.76 131.24 27.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 106.733 -1.581 . . . . 0.0 106.733 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 m -140.54 113.5 8.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -172.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.8 t70 43.24 43.3 3.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.174 2.19 . . . . 0.0 113.654 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.26 163.59 24.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 111.132 -170.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -130.44 139.87 50.57 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 121.407 -0.808 . . . . 0.0 109.917 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.75 130.81 42.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 125.538 1.535 . . . . 0.0 106.874 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -136.68 126.73 26.06 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? 34.74 52.27 0.56 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.699 2.0 . . . . 0.0 112.686 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.5 m -126.19 146.58 49.91 Favored 'General case' 0 CA--C 1.523 -0.093 0 O-C-N 121.26 -0.9 . . . . 0.0 109.405 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -94.07 134.06 32.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -153.51 97.8 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.351 -0.843 . . . . 0.0 109.463 -169.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.4 m -118.35 135.63 54.21 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.11 35.61 5.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.852 1.661 . . . . 0.0 111.894 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.83 161.51 14.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -138.84 112.09 8.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 171.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.2 mt -121.78 117.25 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -169.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -118.94 130.33 55.65 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 41.55 43.77 2.38 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.951 1.701 . . . . 0.0 113.758 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.4 m -126.53 168.64 13.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.755 0.822 . . . . 0.0 110.294 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -128.25 141.39 51.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.39 132.99 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.745 1.218 . . . . 0.0 107.749 -169.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -141.71 135.16 29.55 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.449 0.699 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt 49.51 24.73 1.19 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.176 1.39 . . . . 0.0 114.171 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -104.79 164.57 11.68 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.158 -0.964 . . . . 0.0 111.025 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.0 m -128.6 95.14 4.04 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.626 1.571 . . . . 0.0 107.972 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.71 131.85 34.33 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 m -137.19 97.97 3.62 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 39.65 96.22 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.374 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -126.36 167.53 15.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.183 0.991 . . . . 0.0 110.672 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -128.11 135.63 50.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.418 1.087 . . . . 0.0 108.209 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -120.58 141.91 49.86 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -143.49 121.01 11.73 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.88 44.31 98.25 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.228 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.03 166.96 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 119.013 1.407 . . . . 0.0 111.607 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.23 125.99 41.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -138.15 134.69 44.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 119.138 0.881 . . . . 0.0 110.058 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -135.48 131.78 36.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 123.568 0.747 . . . . 0.0 109.382 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 50.57 35.01 10.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.309 1.044 . . . . 0.0 113.178 169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.2 m -123.2 175.23 6.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.831 0.853 . . . . 0.0 111.854 -169.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m -135.38 139.4 44.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.7 p -137.74 127.4 25.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -136.91 106.08 6.01 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.96 54.07 30.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.47 HG21 ' H ' ' A' ' 103' ' ' GLY . 11.0 p -136.16 160.83 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.254 1.021 . . . . 0.0 110.702 -174.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -131.13 121.32 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 mt -133.33 113.2 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -169.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -169.099 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.1 m -135.86 115.68 13.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.33 135.18 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 m -141.52 143.85 34.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 p 44.89 43.76 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.991 1.716 . . . . 0.0 113.79 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.9 t -126.42 161.69 27.31 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.249 1.02 . . . . 0.0 110.536 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.1 m -126.04 135.73 52.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.46 125.35 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.5 m -135.81 125.68 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 40.86 48.03 2.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.445 . . . . 0.0 112.504 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.47 ' H ' HG21 ' A' ' 86' ' ' THR . . . 82.64 5.09 89.78 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.53 -1.15 . . . . 0.0 114.256 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.03 114.55 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 119.488 1.644 . . . . 0.0 107.257 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 C-N-CA 123.415 0.686 . . . . 0.0 109.654 172.372 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.17 129.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.211 0.914 . . . . 0.0 109.964 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -122.35 137.74 54.75 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 168.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.9 tt -146.32 35.08 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.743 1.217 . . . . 0.0 109.786 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.8 m -59.27 134.74 57.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.445 1.498 . . . . 0.0 111.773 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.1 12.42 54.97 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.441 1.02 . . . . 0.0 114.436 172.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 84.1 m -82.72 160.68 22.31 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.708 1.254 . . . . 0.0 112.781 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.9 m -144.97 114.8 7.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 161.84 41.92 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.141 0.576 . . . . 0.0 111.676 -169.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.0 m -149.89 165.17 33.39 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.124 1.77 . . . . 0.0 109.255 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 150.84 41.65 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.959 0.504 . . . . 0.0 110.21 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 C--O 1.253 1.237 0 N-CA-C 106.949 -1.501 . . . . 0.0 106.949 168.703 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -77.05 99.15 5.22 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -66.88 -54.6 20.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.789 0.836 . . . . 0.0 110.172 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -164.86 30.7 0.06 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.269 1.028 . . . . 0.0 112.038 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -100.48 167.18 10.53 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.472 1.509 . . . . 0.0 111.556 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -104.16 134.22 47.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.18 115.72 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 p -68.99 166.34 18.2 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 111.211 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.63 39.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 114.214 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.37 7.14 13.81 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.475 0.71 . . . . 0.0 112.41 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.4 m -85.24 167.21 15.86 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.358 1.063 . . . . 0.0 108.717 169.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -145.81 149.67 34.76 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 p -133.63 139.01 46.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.3 t -145.03 130.32 13.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -169.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? 41.69 34.78 0.43 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.327 2.251 . . . . 0.0 113.516 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -137.75 170.82 15.4 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.92 1.688 . . . . 0.0 109.017 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -117.36 142.96 46.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.176 0.991 . . . . 0.0 108.846 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 118.57 11.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -120.89 111.52 17.64 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.629 0.772 . . . . 0.0 109.415 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 41.67 47.0 3.34 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 128.26 2.624 . . . . 0.0 114.445 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m -96.1 172.17 8.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.848 0.859 . . . . 0.0 110.342 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -127.4 123.6 36.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.0 mt -128.16 107.64 16.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -169.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.36 117.33 32.16 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.864 1.665 . . . . 0.0 108.496 -173.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 40.82 34.05 0.24 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.352 1.861 . . . . 0.0 114.202 -172.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -118.97 152.53 36.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 122.33 1.062 . . . . 0.0 112.278 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -117.36 124.71 49.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.219 1.408 . . . . 0.0 107.765 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -127.03 103.01 7.23 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.54 167.46 26.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -168.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.89 68.2 0.9 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.25 1.82 . . . . 0.0 114.137 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 54.53 39.1 30.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.37 1.468 . . . . 0.0 113.741 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -81.8 170.44 15.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.82 140.22 30.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 O-C-N 122.004 -0.435 . . . . 0.0 110.271 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.7 t -120.07 136.96 54.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.95 113.08 7.51 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 42.16 56.79 3.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.541 1.936 . . . . 0.0 112.259 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -136.92 171.46 14.48 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.331 1.052 . . . . 0.0 111.437 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -123.01 132.47 54.15 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.467 1.507 . . . . 0.0 108.165 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -124.79 135.73 53.21 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -140.72 115.26 9.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 43.86 44.92 6.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.202 2.201 . . . . 0.0 113.343 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 171.4 9.1 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.909 1.284 . . . . 0.0 111.951 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -137.22 140.41 41.68 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.734 0.814 . . . . 0.0 109.494 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.4 128.63 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 124.797 1.239 . . . . 0.0 107.671 -171.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -134.71 130.45 36.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 108.982 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 32.42 48.98 0.13 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.166 2.187 . . . . 0.0 113.425 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -125.14 156.62 38.07 Favored 'General case' 0 CA--C 1.521 -0.145 0 O-C-N 121.576 -0.702 . . . . 0.0 109.34 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.15 125.9 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 -169.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.1 132.16 41.39 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -175.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.4 m -137.13 124.57 22.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 44.65 64.56 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.173 1.389 . . . . 0.0 112.294 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.6 t -116.02 157.89 23.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.52 1.128 . . . . 0.0 108.769 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -137.32 109.55 7.3 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.0 mt -119.32 118.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -169.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.34 128.36 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 45.71 39.98 5.74 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.644 1.577 . . . . 0.0 113.517 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -125.57 163.49 22.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.773 0.829 . . . . 0.0 110.768 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.43 141.54 51.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.18 131.15 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -169.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.33 131.35 29.89 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.61 26.58 1.82 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.859 1.663 . . . . 0.0 113.546 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -110.0 163.5 13.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.643 1.177 . . . . 0.0 111.226 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.2 m -124.75 125.66 44.41 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.65 1.18 . . . . 0.0 108.697 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -118.07 125.06 49.56 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.052 1.341 . . . . 0.0 107.799 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 113.52 10.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.56 42.55 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.278 -0.735 . . . . 0.0 111.691 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -138.18 174.87 10.09 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.888 0.844 . . . . 0.0 112.29 -169.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -139.72 147.39 40.83 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.261 -0.899 . . . . 0.0 110.273 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -128.3 138.99 52.65 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 116.66 11.35 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.203 1.001 . . . . 0.0 108.416 172.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.8 44.0 98.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 118.596 -1.113 . . . . 0.0 113.345 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 164.56 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.16 1.48 . . . . 0.0 111.414 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -127.79 115.92 19.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.42 132.84 62.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -133.01 132.31 41.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.9 0.88 . . . . 0.0 109.112 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m 51.58 31.85 8.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.06 1.344 . . . . 0.0 113.742 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -117.0 173.97 6.36 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.793 0.837 . . . . 0.0 111.924 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.8 m -134.64 140.22 45.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.592 1.157 . . . . 0.0 107.978 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.04 118.9 9.27 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 m -136.79 115.78 12.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.119 0.967 . . . . 0.0 108.748 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.89 46.44 94.12 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 p -135.49 155.82 49.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.219 1.01 . . . . 0.0 111.479 -169.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.1 m -131.47 130.81 42.91 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 169.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -125.26 130.2 73.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.234 0.24 0 C-N-CA 123.955 0.902 . . . . 0.0 109.565 -176.097 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -135.83 125.42 25.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.5 mt -138.18 134.76 44.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -174.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.4 m -138.14 138.84 39.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.096 0.959 . . . . 0.0 109.512 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.261 7.2 p 48.33 30.62 2.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.803 2.041 . . . . 0.0 114.731 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.2 m -89.87 159.87 16.75 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.298 -0.876 . . . . 0.0 110.973 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.4 m -130.03 124.62 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 mt -134.18 130.54 54.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -170.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -140.88 132.02 26.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -170.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 46.29 41.34 8.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.302 . . . . 0.0 112.276 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.94 9.78 84.89 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.248 -1.307 . . . . 0.0 114.873 175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.28 126.16 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.691 1.745 . . . . 0.0 107.917 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.042 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.6 t -74.29 123.57 24.82 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.092 0.86 . . . . 0.0 109.13 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 130.3 53.82 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 169.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 tt -142.94 145.65 22.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.482 1.113 . . . . 0.0 108.826 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.7 m -157.63 145.33 18.69 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.42 1.088 . . . . 0.0 109.462 173.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.14 24.6 73.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.009 -0.884 . . . . 0.0 113.785 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.07 160.05 20.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.562 1.181 . . . . 0.0 112.101 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.8 m -130.61 145.17 51.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.741 2.016 . . . . 0.0 106.401 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.99 142.02 51.06 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.367 1.067 . . . . 0.0 108.657 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.2 m -143.06 157.28 44.68 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.252 1.421 . . . . 0.0 108.425 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.79 158.81 25.32 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.709 0.403 . . . . 0.0 110.053 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 124.135 0.974 . . . . 0.0 108.625 169.197 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -135.01 134.87 40.9 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 95.78 4.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.944 1.698 . . . . 0.0 106.542 170.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 56.19 14.4 1.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.049 2.139 . . . . 0.0 116.173 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 m -75.14 165.77 24.7 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.583 -1.323 . . . . 0.0 109.991 169.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -120.56 136.69 54.72 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.06 118.74 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -65.2 165.59 11.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.611 0.72 . . . . 0.0 111.453 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.92 63.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.905 0.882 . . . . 0.0 112.798 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -100.77 14.16 32.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 111.662 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -115.02 167.71 10.56 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 125.315 1.446 . . . . 0.0 109.935 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -132.47 138.26 47.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.748 0.819 . . . . 0.0 108.903 -172.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.6 t -139.2 107.65 5.84 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.78 126.4 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 56.29 -4.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.733 2.413 . . . . 0.0 115.616 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -90.73 178.29 6.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.964 1.306 . . . . 0.0 111.277 -169.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 m -125.1 134.33 52.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 172.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.98 126.26 37.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -120.2 111.72 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 44.38 37.45 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.639 2.375 . . . . 0.0 113.611 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.82 170.04 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.659 0.783 . . . . 0.0 109.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -133.66 128.26 34.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.8 mt -136.73 116.66 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.34 127.61 45.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.769 1.228 . . . . 0.0 109.659 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 38.84 38.35 0.27 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.06 2.144 . . . . 0.0 112.786 -169.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -128.78 167.95 16.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.8 0.84 . . . . 0.0 112.285 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -128.68 131.44 47.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.61 106.25 9.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.78 162.4 36.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 46.01 74.31 0.15 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.832 2.453 . . . . 0.0 112.856 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 48.18 42.65 17.75 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.6 m -74.31 158.93 33.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 167.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.34 125.88 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -129.5 137.7 50.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -169.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -135.98 110.8 8.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 50.93 26.83 2.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.67 1.988 . . . . 0.0 115.192 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 m -92.29 160.08 15.3 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.321 0.964 . . . . 0.0 110.287 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.35 122.48 47.52 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.739 2.016 . . . . 0.0 107.032 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -113.81 136.27 53.05 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -139.92 116.47 10.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 46.27 41.97 9.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.98 1.712 . . . . 0.0 113.752 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.42 170.55 14.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.847 1.259 . . . . 0.0 112.829 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -132.42 140.45 48.45 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.099 0.959 . . . . 0.0 109.78 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.21 128.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.089 1.356 . . . . 0.0 107.455 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.99 130.09 37.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.796 0.838 . . . . 0.0 109.647 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 tttt 33.5 49.91 0.26 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.211 2.205 . . . . 0.0 112.937 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 m -125.84 161.66 26.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.51 132.43 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -142.51 140.43 31.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.48 0.582 . . . . 0.0 110.622 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -136.84 113.38 10.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.29 1.436 . . . . 0.0 107.63 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.13 49.3 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.301 1.84 . . . . 0.0 112.446 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.8 m -112.03 168.58 9.49 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.029 0.931 . . . . 0.0 110.387 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -120.42 134.97 55.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.2 mt -134.97 100.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.41 129.42 56.02 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 mttp 51.8 25.23 2.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.396 1.478 . . . . 0.0 114.229 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -112.4 167.56 10.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.594 0.758 . . . . 0.0 111.684 -169.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -128.97 131.92 47.52 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.01 131.0 52.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -169.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -137.03 133.91 36.0 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.118 0.567 . . . . 0.0 109.801 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt 49.69 29.01 2.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -111.52 163.13 14.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.501 1.12 . . . . 0.0 110.637 -169.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -125.71 130.34 51.34 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.764 1.226 . . . . 0.0 107.949 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.8 t -129.65 130.31 45.41 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.144 0.978 . . . . 0.0 109.096 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -138.56 120.14 15.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.47 31.18 51.36 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.74 0.686 . . . . 0.0 113.477 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.86 161.54 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.964 0.905 . . . . 0.0 110.14 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -131.69 121.71 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -170.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -110.1 138.5 46.39 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.3 115.39 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.7 48.69 84.96 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 118.849 -0.973 . . . . 0.0 113.178 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.09 157.88 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 118.296 1.048 . . . . 0.0 110.88 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -128.3 102.84 6.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -124.57 136.44 60.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 122.875 0.47 . . . . 0.0 110.434 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 148.21 47.57 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 53.89 31.69 13.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.648 1.579 . . . . 0.0 113.063 170.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -121.37 175.49 6.14 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.78 0.832 . . . . 0.0 112.025 -169.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -136.97 137.67 39.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.524 1.13 . . . . 0.0 108.747 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 p -135.51 128.29 31.09 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -135.08 111.49 9.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.386 1.074 . . . . 0.0 108.683 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.2 49.96 72.89 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.474 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -137.29 131.13 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.999 0.9 . . . . 0.0 111.683 -169.398 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -95.89 136.51 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 169.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.6 mm -133.88 109.77 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 -173.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.041 0.448 . . . . 0.0 111.303 -169.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -134.61 123.94 24.61 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.69 134.79 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -142.65 134.93 27.55 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 p 46.62 38.64 5.89 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.555 1.542 . . . . 0.0 113.379 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -115.62 160.98 19.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.237 1.015 . . . . 0.0 110.357 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.4 m -127.16 136.19 51.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 169.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.55 131.52 43.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.0 m -136.78 132.07 34.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 38.21 51.39 1.52 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.547 1.539 . . . . 0.0 113.299 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.474 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.0 3.76 90.63 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.332 -1.26 . . . . 0.0 114.411 173.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.91 120.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 119.684 1.742 . . . . 0.0 108.022 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.425 0.69 . . . . 0.0 109.818 172.817 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 118.834 -0.603 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.58 132.36 44.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.662 0.665 . . . . 0.0 110.066 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.79 138.08 50.85 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 tt -141.0 143.86 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.121 1.368 . . . . 0.0 108.677 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 m -146.55 150.06 34.79 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.335 1.054 . . . . 0.0 109.397 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.75 37.35 56.98 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.451 1.5 . . . . 0.0 114.164 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 5.9 t -134.06 160.35 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.394 1.097 . . . . 0.0 112.917 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -125.82 147.25 49.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.897 1.679 . . . . 0.0 108.112 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -128.78 149.42 50.73 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.836 1.255 . . . . 0.0 108.725 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 m -147.06 159.3 43.75 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.307 1.043 . . . . 0.0 109.086 171.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.37 148.97 30.39 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.6 ttt . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.234 1.014 . . . . 0.0 108.431 169.602 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -91.91 126.11 36.87 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.362 0.665 . . . . 0.0 110.012 -172.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.16 -56.19 4.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.411 1.084 . . . . 0.0 109.89 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -160.49 12.04 0.11 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.607 1.163 . . . . 0.0 112.375 -175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.6 m -73.48 159.36 33.33 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 111.257 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -96.69 133.96 40.55 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 170.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.83 113.03 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -71.12 169.94 13.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.398 0.618 . . . . 0.0 111.552 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.05 -25.91 59.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.962 1.305 . . . . 0.0 113.921 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -121.17 34.62 5.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.319 1.048 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 m -121.99 163.38 19.46 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.615 1.566 . . . . 0.0 108.978 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -155.96 148.21 23.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.321 0.51 . . . . 0.0 110.295 -171.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.79 145.37 48.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 168.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.11 116.58 3.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt 62.67 -19.88 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.51 2.724 . . . . 0.0 114.545 -170.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -62.98 164.27 8.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.778 1.231 . . . . 0.0 113.436 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 m -112.14 148.74 33.35 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.366 1.466 . . . . 0.0 107.3 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 132.76 26.8 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.613 -0.679 . . . . 0.0 109.591 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 81.08 2.01 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.437 0.695 . . . . 0.0 109.522 -169.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.78 59.76 4.26 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.94 1.696 . . . . 0.0 111.379 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.406 ' H ' ' CB ' ' A' ' 9' ' ' SER . 5.6 m -106.55 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.946 1.298 . . . . 0.0 109.108 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -137.13 117.24 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.56 112.89 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -169.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -118.18 115.38 24.66 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.815 1.646 . . . . 0.0 108.488 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 t30 43.0 38.88 1.57 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.911 1.684 . . . . 0.0 113.264 -173.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -129.29 165.04 22.22 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.053 0.941 . . . . 0.0 112.442 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -126.98 133.45 50.57 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.922 0.889 . . . . 0.0 108.642 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -132.31 84.84 2.18 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.1 179.52 2.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -167.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 t0 55.82 52.88 10.09 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.758 2.023 . . . . 0.0 111.89 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 58.29 40.81 24.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.972 0.909 . . . . 0.0 113.163 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -73.38 173.78 9.07 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.193 -0.942 . . . . 0.0 109.543 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.67 146.56 21.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 121.489 -0.757 . . . . 0.0 109.694 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.92 153.24 50.48 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -144.77 126.99 15.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 46.27 36.28 3.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.481 1.512 . . . . 0.0 113.766 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.3 m -116.19 158.61 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.256 0.622 . . . . 0.0 111.248 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -115.63 137.97 51.54 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.684 1.594 . . . . 0.0 107.607 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.62 129.75 33.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -141.32 115.47 9.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -171.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 43.83 42.02 4.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.686 1.994 . . . . 0.0 113.757 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.33 167.13 14.77 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.367 1.467 . . . . 0.0 111.758 -169.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -134.84 138.2 43.98 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 123.612 0.765 . . . . 0.0 109.698 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.65 133.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -135.11 130.76 35.98 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 34.76 52.38 0.57 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.805 2.042 . . . . 0.0 113.54 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.1 m -123.68 156.51 35.78 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.38 -0.825 . . . . 0.0 109.225 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.55 110.66 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -169.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -130.65 139.97 50.37 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 118.632 0.651 . . . . 0.0 109.935 -169.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.2 m -136.29 129.83 32.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.801 1.24 . . . . 0.0 107.714 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t0 42.18 67.46 0.58 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.409 2.283 . . . . 0.0 112.76 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 68.5 m -128.35 167.13 17.4 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.475 0.71 . . . . 0.0 110.682 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -133.07 112.17 11.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 105.626 -1.991 . . . . 0.0 105.626 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mm -117.71 107.66 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -119.1 127.59 53.51 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 47.14 34.42 2.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.713 1.605 . . . . 0.0 113.652 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.0 m -119.35 165.58 14.12 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.574 0.749 . . . . 0.0 111.198 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -126.22 132.66 51.7 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.277 1.431 . . . . 0.0 107.504 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -136.02 133.76 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.43 136.35 31.26 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.95 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 mt 51.9 27.12 4.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.717 1.207 . . . . 0.0 113.464 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 m -109.71 159.8 16.85 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 110.235 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.0 m -122.43 128.57 51.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.7 t -128.33 126.5 40.86 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.928 0.891 . . . . 0.0 108.786 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 m -135.98 121.25 19.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.54 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 119.415 -0.658 . . . . 0.0 112.632 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.0 m -129.1 165.17 21.76 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.275 1.03 . . . . 0.0 110.482 -169.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.99 134.73 44.86 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -118.23 131.17 56.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -140.24 101.44 4.14 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.91 43.56 82.36 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.764 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 pt -129.12 169.89 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.426 1.613 . . . . 0.0 111.916 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -123.68 129.66 51.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.2 tt -143.15 131.49 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -137.09 135.48 37.5 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.369 0.668 . . . . 0.0 109.484 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m 51.37 35.08 13.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.248 1.419 . . . . 0.0 113.664 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -121.87 174.71 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 111.843 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -136.86 133.93 36.36 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.456 1.102 . . . . 0.0 108.524 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.5 p -136.38 128.48 29.68 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -135.69 114.68 12.18 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.163 0.985 . . . . 0.0 108.409 -174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.06 41.91 99.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.441 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -131.79 121.34 23.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.656 1.228 . . . . 0.0 111.968 -168.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.4 m -93.94 134.35 36.42 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 168.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -137.08 125.05 32.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 124.364 1.066 . . . . 0.0 110.746 -176.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -136.0 131.6 35.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.9 134.82 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -138.52 141.07 39.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.216 0.606 . . . . 0.0 110.222 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.44 31.2 16.46 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 168.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 94.9 m -104.52 163.56 12.37 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.139 0.976 . . . . 0.0 111.983 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -129.81 133.44 46.95 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mt -141.51 135.36 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 m -140.19 128.82 22.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.41 1.084 . . . . 0.0 108.282 -172.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 40.66 49.28 2.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.521 1.529 . . . . 0.0 113.333 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.441 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.93 2.69 89.55 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.066 -1.408 . . . . 0.0 114.42 172.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 t -130.73 137.02 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 119.898 1.849 . . . . 0.0 108.184 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.358 0 O-C-N 121.73 -0.606 . . . . 0.0 109.625 173.639 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.2 t -59.06 133.72 56.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 110.768 -175.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -135.55 128.61 31.59 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.6 tt -141.13 143.99 27.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 124.386 1.074 . . . . 0.0 109.366 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 m -146.81 146.57 30.29 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.52 1.128 . . . . 0.0 109.366 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.33 37.62 60.21 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.26 1.41 . . . . 0.0 113.632 169.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.18 160.2 28.4 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.176 0.988 . . . . 0.0 112.98 -169.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.8 m -134.11 144.81 48.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.833 2.053 . . . . 0.0 107.344 171.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.24 145.88 51.26 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.881 1.272 . . . . 0.0 108.509 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.8 m -142.84 150.38 39.82 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.515 1.126 . . . . 0.0 108.857 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.71 169.27 13.21 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.102 0.561 . . . . 0.0 110.407 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -176.716 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -72.89 157.88 36.59 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.119 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -123.06 -66.46 1.02 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.412 1.885 . . . . 0.0 107.3 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -148.81 16.74 0.98 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.227 1.811 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.5 m -69.75 169.62 12.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.5 0.72 . . . . 0.0 110.552 170.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -118.17 139.89 50.6 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.04 116.63 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -64.06 162.7 13.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.22 0.533 . . . . 0.0 111.477 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.49 63.18 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -109.07 -4.72 16.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.371 0.668 . . . . 0.0 112.087 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 m -71.75 171.55 11.39 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.387 0.675 . . . . 0.0 109.985 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -139.45 143.56 37.64 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.565 -0.709 . . . . 0.0 109.187 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -134.2 121.23 21.07 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 104.691 -2.336 . . . . 0.0 104.691 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -143.58 129.99 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 pttt 34.01 45.39 0.11 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.197 2.199 . . . . 0.0 113.297 -173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -140.12 160.66 39.44 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.554 1.542 . . . . 0.0 108.371 -172.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -117.47 141.32 48.49 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.28 124.12 19.96 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -121.58 110.76 16.4 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.365 1.066 . . . . 0.0 109.05 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 42.57 40.82 2.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.203 1.801 . . . . 0.0 113.894 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.4 ' H ' ' CB ' ' A' ' 9' ' ' SER . 10.7 m -87.74 166.69 14.45 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -132.5 125.83 31.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -127.92 118.27 48.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -169.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.83 115.18 23.32 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.812 1.645 . . . . 0.0 108.421 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.98 40.51 1.04 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.291 1.836 . . . . 0.0 113.988 -174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -127.58 165.19 20.39 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.015 0.926 . . . . 0.0 111.436 -169.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.31 130.31 50.58 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 tp -125.22 100.69 6.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.13 163.41 36.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.9 63.4 2.14 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.833 1.653 . . . . 0.0 113.42 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 34.61 17.54 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.936 1.695 . . . . 0.0 113.417 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 m -76.54 152.09 36.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.6 mt -139.25 120.72 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.63 147.49 45.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.459 0.572 . . . . 0.0 109.612 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -143.4 114.37 7.74 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 59.86 13.95 3.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.557 1.543 . . . . 0.0 113.815 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -95.57 166.67 11.73 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.015 -1.053 . . . . 0.0 112.117 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -118.31 138.13 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.966 2.106 . . . . 0.0 107.831 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -135.38 130.51 35.02 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.88 113.8 7.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -171.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 43.27 44.46 4.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.449 1.9 . . . . 0.0 113.13 -173.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.38 171.12 10.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.669 1.588 . . . . 0.0 112.268 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -133.65 144.14 49.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.36 1.064 . . . . 0.0 109.138 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.13 128.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -133.91 127.26 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm 37.15 49.29 0.84 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.294 1.838 . . . . 0.0 113.487 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -128.19 149.07 50.61 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.734 -0.604 . . . . 0.0 109.616 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.76 128.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.13 112.05 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -168.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -125.25 127.86 47.4 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.943 0.897 . . . . 0.0 109.977 -169.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 46.72 40.36 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.889 2.076 . . . . 0.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 m -105.55 165.2 11.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.376 0.671 . . . . 0.0 109.977 -176.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -127.65 111.77 14.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mm -117.05 100.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -118.31 130.98 56.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -171.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm 49.38 21.98 0.64 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.465 1.506 . . . . 0.0 114.196 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -110.31 163.36 13.72 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.146 0.884 . . . . 0.0 111.576 -169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -133.05 115.97 15.79 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.8 t -119.81 134.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 124.8 1.24 . . . . 0.0 108.789 -168.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -141.13 132.65 26.97 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.671 0.788 . . . . 0.0 109.3 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.3 mt 49.05 26.99 1.54 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.54 1.136 . . . . 0.0 113.513 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m -110.95 163.75 13.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.565 1.146 . . . . 0.0 111.341 -168.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.8 m -123.91 131.82 53.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.23 1.412 . . . . 0.0 107.498 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -131.38 134.43 46.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.867 1.267 . . . . 0.0 108.332 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 m -138.03 118.84 14.14 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.84 35.92 59.14 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 118.94 -0.922 . . . . 0.0 113.338 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -130.97 158.88 39.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.458 1.129 . . . . 0.0 112.143 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 124.91 53.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -110.25 132.65 53.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.469 -2.049 . . . . 0.0 105.469 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.32 103.38 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.02 42.46 92.48 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-O 118.544 -1.142 . . . . 0.0 112.457 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.12 146.7 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.08 1.44 . . . . 0.0 111.372 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -99.12 130.19 45.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 168.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.27 131.2 16.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 118.65 0.659 . . . . 0.0 109.622 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -132.36 138.51 47.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.679 0.792 . . . . 0.0 109.739 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m 51.44 29.13 4.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.916 1.287 . . . . 0.0 114.131 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.0 m -114.21 173.31 6.51 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.989 0.813 . . . . 0.0 112.232 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -136.9 134.66 37.05 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 107.888 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.8 p -134.16 154.48 51.2 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.532 0.733 . . . . 0.0 109.417 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.2 m -152.37 134.33 14.87 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.333 -0.854 . . . . 0.0 108.961 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.46 45.45 36.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.924 1.249 . . . . 0.0 114.051 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -142.31 161.62 37.56 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.554 1.677 . . . . 0.0 110.473 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -122.22 130.55 53.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.4 mt -136.35 121.75 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 -169.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.45 -0.451 0 C-N-CA 123.925 0.89 . . . . 0.0 109.767 -170.309 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.3 m -139.06 132.04 29.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.521 1.528 . . . . 0.0 107.685 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -138.17 139.61 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.957 1.303 . . . . 0.0 107.534 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 m -140.28 143.21 35.79 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 p 46.93 35.3 3.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.309 1.844 . . . . 0.0 113.332 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.5 t -104.39 162.67 13.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.51 0.724 . . . . 0.0 111.788 -169.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 m -129.57 130.85 46.23 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 171.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.54 142.18 31.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.4 m -150.24 134.55 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 43.74 46.31 6.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.189 1.396 . . . . 0.0 113.225 173.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.84 86.72 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 118.83 -0.983 . . . . 0.0 113.784 173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.05 137.37 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 125.498 1.519 . . . . 0.0 110.309 -173.371 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.67 133.22 55.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.689 0.677 . . . . 0.0 110.159 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -133.36 136.87 45.61 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.2 mt -138.78 140.49 38.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.9 m -142.86 144.55 32.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.995 1.318 . . . . 0.0 108.605 173.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.78 29.63 67.76 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.72 -1.045 . . . . 0.0 114.39 170.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.99 164.25 16.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.812 1.306 . . . . 0.0 112.809 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.7 m -135.53 135.14 40.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 126.818 2.047 . . . . 0.0 106.282 172.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -128.73 144.8 51.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.534 1.133 . . . . 0.0 108.278 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.9 m -147.93 159.9 43.38 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.096 1.358 . . . . 0.0 109.429 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.82 154.53 38.25 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.846 -0.534 . . . . 0.0 109.724 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.857 0.863 . . . . 0.0 108.785 169.477 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 122.463 1.125 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -72.71 128.29 35.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.787 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -126.53 107.26 10.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t30 42.63 31.05 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.59 2.356 . . . . 0.0 115.319 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -101.84 161.49 13.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.347 1.059 . . . . 0.0 111.175 -174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -119.22 129.85 55.17 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 114.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.5 p -68.39 166.27 17.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.257 0.551 . . . . 0.0 110.884 -175.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.89 62.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.957 0.903 . . . . 0.0 113.126 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -102.64 0.69 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.287 1.435 . . . . 0.0 111.973 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -91.56 177.88 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.664 1.185 . . . . 0.0 109.083 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -147.27 137.35 23.17 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.497 -0.752 . . . . 0.0 110.733 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.17 144.84 33.62 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.413 1.885 . . . . 0.0 106.77 169.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.04 -44.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-O 122.49 1.138 . . . . 0.0 112.424 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -148.36 97.56 2.78 Favored 'General case' 0 C--N 1.315 -0.933 1 N-CA-C 100.123 -4.029 . . . . 0.0 100.123 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -152.85 -179.63 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.6 m -149.48 133.88 17.47 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 169.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.82 130.5 22.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -125.67 110.95 14.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.18 42.88 0.8 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.919 2.088 . . . . 0.0 113.087 -171.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.61 163.45 23.63 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -132.28 122.42 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mt -136.36 116.99 17.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -169.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -125.38 127.2 46.21 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.223 1.409 . . . . 0.0 109.499 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t30 37.0 40.13 0.14 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.086 2.154 . . . . 0.0 113.89 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -130.65 162.47 29.31 Favored 'General case' 0 CA--C 1.527 0.072 0 O-C-N 121.688 -0.633 . . . . 0.0 112.155 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -116.87 133.17 56.34 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.344 0.658 . . . . 0.0 109.376 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -123.38 96.67 5.08 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.51 174.07 12.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 118.643 0.656 . . . . 0.0 112.591 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.8 t0 51.6 46.55 26.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.646 1.978 . . . . 0.0 112.935 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.269 1.3 m 59.99 41.3 17.71 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.841 2.056 . . . . 0.0 112.982 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -70.94 164.07 26.2 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.3 141.85 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.655 0.382 . . . . 0.0 110.515 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.3 t -126.99 138.94 53.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 107.824 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -135.24 103.34 5.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 58.63 20.01 7.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.706 1.202 . . . . 0.0 113.855 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.3 m -89.25 166.38 13.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.459 1.027 . . . . 0.0 110.548 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.98 129.46 56.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.953 1.701 . . . . 0.0 107.334 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.5 135.61 53.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 m -142.55 115.73 8.91 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 47.14 41.76 12.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.046 1.738 . . . . 0.0 113.225 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.55 171.27 12.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.013 1.325 . . . . 0.0 113.147 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -130.34 137.95 50.18 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.164 0.986 . . . . 0.0 109.003 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -137.11 126.92 38.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -134.57 128.73 33.82 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.718 0.807 . . . . 0.0 109.204 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tttm 34.15 50.56 0.37 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 127.05 2.14 . . . . 0.0 112.954 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -125.73 161.24 27.76 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -114.93 132.49 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 137.19 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.335 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.1 m -135.92 131.01 34.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.645 1.178 . . . . 0.0 108.117 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 45.95 46.98 12.56 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.775 2.03 . . . . 0.0 112.099 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.08 165.15 11.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.038 0.935 . . . . 0.0 109.003 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -132.24 119.35 20.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.7 mt -123.04 100.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 -169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.41 127.23 56.05 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -172.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.54 28.69 4.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.089 1.356 . . . . 0.0 113.389 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -118.73 167.45 11.66 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.292 -169.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.83 135.58 51.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.84 130.19 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.13 133.26 33.16 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt 48.51 27.92 1.58 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.588 1.086 . . . . 0.0 113.799 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -112.03 163.81 13.85 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.027 -1.045 . . . . 0.0 111.137 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 m -128.47 107.02 9.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.902 1.281 . . . . 0.0 108.749 -177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.47 131.4 44.76 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.312 0.645 . . . . 0.0 109.37 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.7 m -134.07 113.88 12.57 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.55 37.31 66.84 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 119.208 -0.773 . . . . 0.0 112.715 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -132.23 178.44 6.81 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.485 1.114 . . . . 0.0 110.341 -169.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.48 140.84 35.4 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -123.97 134.65 53.44 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.37 118.29 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 171.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.37 94.18 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.731 -1.038 . . . . 0.0 113.415 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -125.02 164.58 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 118.968 1.384 . . . . 0.0 111.768 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -122.97 122.72 39.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 169.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.08 131.92 42.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -134.77 142.27 46.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.983 0.42 . . . . 0.0 111.508 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 52.78 31.2 10.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.441 1.497 . . . . 0.0 113.62 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -120.12 174.77 6.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.907 0.883 . . . . 0.0 111.927 -169.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -137.4 139.49 40.75 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.458 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p -138.63 130.56 28.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 m -132.65 128.37 36.92 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.085 0.954 . . . . 0.0 108.607 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.56 32.55 39.14 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 118.264 -1.298 . . . . 0.0 114.411 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -129.7 165.2 22.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.313 2.056 . . . . 0.0 110.963 -171.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 t -130.12 131.6 45.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -127.45 135.57 62.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 125.146 1.378 . . . . 0.0 109.867 -170.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 120.945 0.403 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.8 m -139.05 124.83 19.66 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 126.704 2.002 . . . . 0.0 105.752 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.95 135.12 48.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.8 m -135.38 137.86 42.75 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.238 1.015 . . . . 0.0 109.409 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.84 37.46 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.632 1.573 . . . . 0.0 114.358 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.7 m -100.6 161.84 13.33 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.091 0.957 . . . . 0.0 110.824 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.5 m -129.07 130.92 47.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 104.046 -2.576 . . . . 0.0 104.046 169.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mt -135.92 132.21 50.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.2 m -131.1 123.04 27.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 43.63 41.82 3.76 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.517 1.527 . . . . 0.0 113.522 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.12 69.64 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.002 -0.888 . . . . 0.0 113.352 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.69 111.19 29.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 171.561 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.54 127.85 34.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -132.86 131.06 40.55 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 tt -143.81 147.79 19.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.325 1.05 . . . . 0.0 109.17 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -157.77 150.04 22.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 109.15 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.62 19.11 70.76 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.762 -1.021 . . . . 0.0 114.687 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 81.3 m -110.93 163.47 13.78 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.535 1.167 . . . . 0.0 112.222 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.8 m -136.31 139.04 42.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 168.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.23 155.3 41.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.868 0.758 . . . . 0.0 111.435 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 m -155.34 170.8 21.05 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.502 1.521 . . . . 0.0 109.878 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.32 148.41 49.75 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 168.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.499 0.72 . . . . 0.0 109.247 176.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 122.906 1.336 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -76.74 102.82 6.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.517 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -68.51 -54.98 13.33 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -170.14 81.3 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.175 1.79 . . . . 0.0 107.512 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -144.48 168.63 19.66 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.409 1.484 . . . . 0.0 110.844 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -128.5 134.79 48.78 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.03 1.332 . . . . 0.0 108.506 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.62 122.85 17.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.7 p -71.73 168.85 16.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.303 0.573 . . . . 0.0 111.726 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.62 -27.32 62.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.573 1.149 . . . . 0.0 113.837 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -109.99 -0.46 18.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.293 0.637 . . . . 0.0 112.12 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -78.58 165.75 23.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -143.45 149.89 38.24 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 p -136.17 129.25 31.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.72 134.56 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 pttt 34.68 45.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.606 1.962 . . . . 0.0 113.177 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -139.99 178.4 7.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.96 1.704 . . . . 0.0 108.211 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.3 m -136.05 141.85 44.33 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -173.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.62 120.45 12.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.93 0.492 . . . . 0.0 109.76 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.5 m -125.71 124.71 41.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 108.801 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.67 37.62 3.45 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.769 1.628 . . . . 0.0 112.04 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.1 t -94.64 152.75 18.24 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -126.11 125.54 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mt -127.74 106.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 -172.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -115.39 120.24 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 125.357 1.463 . . . . 0.0 108.269 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 t30 40.16 32.02 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.754 2.021 . . . . 0.0 113.713 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -117.41 156.89 27.15 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.862 0.865 . . . . 0.0 111.636 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -125.35 117.03 22.85 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -169.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -117.73 104.55 11.1 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 125.181 1.392 . . . . 0.0 107.502 -171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.16 163.45 36.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 112.823 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 t70 52.77 66.51 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.216 1.806 . . . . 0.0 113.599 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.09 33.0 19.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.984 1.713 . . . . 0.0 113.255 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.3 m -76.02 149.9 37.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.04 133.24 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -129.53 135.76 49.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 m -139.3 118.52 12.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 44.82 39.91 3.89 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.053 1.741 . . . . 0.0 114.197 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -125.69 167.79 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.603 0.761 . . . . 0.0 111.882 -172.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -119.47 132.89 55.88 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.686 1.594 . . . . 0.0 108.052 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.0 133.8 54.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m -141.4 118.84 11.51 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.12 42.55 3.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.538 1.935 . . . . 0.0 113.057 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.95 167.03 12.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.95 1.3 . . . . 0.0 112.142 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -132.21 143.65 50.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.28 1.032 . . . . 0.0 109.034 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.14 130.59 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -133.9 124.75 26.95 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.33 47.93 1.57 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.431 1.892 . . . . 0.0 113.262 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -126.6 150.53 48.83 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.33 124.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.24 130.97 41.64 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.6 m -137.0 123.6 20.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 t70 50.24 46.71 24.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.56 1.544 . . . . 0.0 113.434 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.3 m -116.85 165.11 13.7 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.427 -0.796 . . . . 0.0 111.607 -174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -132.58 111.55 11.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -124.76 110.7 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -169.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -123.66 135.15 53.74 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm 49.86 21.22 0.66 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.249 1.819 . . . . 0.0 114.377 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -109.81 164.28 12.72 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.973 0.806 . . . . 0.0 112.839 -168.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -128.35 126.39 40.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.94 133.47 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 123.9 0.88 . . . . 0.0 108.855 -168.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -143.11 127.8 18.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.683 0.793 . . . . 0.0 109.665 -173.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt 44.1 35.08 1.09 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.845 1.202 . . . . 0.0 113.977 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -115.26 159.16 21.34 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 120.942 -1.099 . . . . 0.0 110.307 -169.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.9 m -125.36 126.93 45.82 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -123.59 126.88 47.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.848 1.259 . . . . 0.0 108.124 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -134.61 118.74 17.54 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 31.28 58.64 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.998 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.3 m -125.5 169.75 12.11 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.267 1.034 . . . . 0.0 111.092 -169.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -139.98 129.89 24.74 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.482 -0.761 . . . . 0.0 109.005 -169.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -119.86 139.97 51.55 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -140.73 105.94 5.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.578 0.751 . . . . 0.0 109.145 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.77 45.51 88.27 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-O 118.8 -1.0 . . . . 0.0 112.78 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.9 156.21 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 118.828 1.314 . . . . 0.0 110.912 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -114.14 125.7 54.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 168.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -138.59 128.44 32.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -128.72 144.59 51.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.598 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m 53.81 27.19 6.79 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.927 1.291 . . . . 0.0 113.582 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 m -117.13 173.5 6.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.675 0.79 . . . . 0.0 112.097 -169.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -134.46 135.08 42.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.354 1.062 . . . . 0.0 108.205 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -135.64 125.77 26.18 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 120.64 22.39 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 44.58 74.53 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 117.401 -1.777 . . . . 0.0 113.017 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 t -140.24 151.16 44.93 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.137 2.469 . . . . 0.0 111.209 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 m -109.54 145.13 36.83 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.394 1.077 . . . . 0.0 108.45 171.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.6 mt -142.48 131.06 21.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 124.807 1.243 . . . . 0.0 109.971 179.48 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -138.48 126.35 22.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.318 1.447 . . . . 0.0 107.37 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 mt -138.2 137.94 43.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 124.574 1.15 . . . . 0.0 108.052 -174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -139.06 141.24 38.21 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.167 0.587 . . . . 0.0 110.118 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.48 33.93 3.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.27 1.828 . . . . 0.0 113.984 169.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 t -104.87 165.51 11.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.926 0.89 . . . . 0.0 110.745 -173.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.1 m -129.14 128.68 43.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -136.27 134.76 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 m -141.51 134.04 28.35 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.657 0.783 . . . . 0.0 109.283 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 43.99 38.19 2.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.241 1.816 . . . . 0.0 114.995 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.44 11.8 63.83 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.758 -1.023 . . . . 0.0 113.326 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 123.13 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 119.053 1.426 . . . . 0.0 107.808 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 170.32 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.1 -0.476 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.01 132.9 46.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.778 0.717 . . . . 0.0 109.165 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -131.56 135.59 47.14 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.8 tt -145.11 142.38 22.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 125.279 1.431 . . . . 0.0 107.752 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.6 m -157.69 141.9 16.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.18 0.992 . . . . 0.0 109.438 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.03 26.09 73.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 119.15 -0.806 . . . . 0.0 113.385 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 86.4 m -116.5 159.69 21.7 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.393 1.096 . . . . 0.0 112.016 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.8 m -132.85 149.77 52.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 127.111 2.164 . . . . 0.0 106.288 169.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.96 151.47 49.64 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.09 0.956 . . . . 0.0 109.007 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.61 167.2 31.17 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.326 1.05 . . . . 0.0 109.511 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.22 -178.78 4.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.927 0.87 . . . . 0.0 111.796 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mmm . . . . . 0 C--O 1.247 0.954 0 C-N-CA 127.928 2.491 . . . . 0.0 104.747 169.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.59 135.72 38.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.908 -0.495 . . . . 0.0 109.667 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 m -130.58 93.2 3.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.159 2.183 . . . . 0.0 106.318 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.8 t30 53.5 18.22 1.33 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.434 2.294 . . . . 0.0 116.067 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -74.22 159.38 32.58 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 120.516 -1.365 . . . . 0.0 110.413 170.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -103.63 134.33 47.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.96 119.9 24.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -68.19 167.99 13.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.057 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.91 60.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.311 1.044 . . . . 0.0 113.522 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -106.89 -13.83 15.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.8 m -63.85 163.44 11.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.497 . . . . 0.0 110.028 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -132.56 141.54 48.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 t -137.32 116.12 12.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -142.04 117.78 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 63.8 -25.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.128 2.571 . . . . 0.0 114.577 -173.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.6 m -58.51 170.16 0.8 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.677 1.991 . . . . 0.0 113.497 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -123.2 137.12 54.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.88 117.41 12.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -113.83 104.84 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.42 42.15 3.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.125 2.17 . . . . 0.0 112.907 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.4 m -84.13 172.52 11.87 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.47 117.77 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mt -127.58 110.26 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -120.04 123.41 43.37 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 125.605 1.562 . . . . 0.0 108.67 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t30 38.64 33.29 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.254 2.222 . . . . 0.0 113.956 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.3 m -118.39 158.86 24.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.853 0.861 . . . . 0.0 111.418 -169.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.24 6.74 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -172.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.33 93.47 6.89 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.08 177.33 6.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 121.323 -0.86 . . . . 0.0 112.034 -169.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 57.76 51.36 9.38 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.108 1.363 . . . . 0.0 111.055 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.8 m 47.52 47.91 17.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.011 1.724 . . . . 0.0 115.046 -174.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -75.18 163.06 27.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 167.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -140.44 131.61 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -134.03 151.28 51.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.0 0.818 . . . . 0.0 110.741 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -138.86 113.77 9.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 56.38 13.98 1.46 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.1 m -84.4 155.15 22.42 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.88 1.218 . . . . 0.0 110.3 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -101.4 133.92 45.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.414 1.486 . . . . 0.0 107.102 171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.28 132.1 52.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.519 -1.659 . . . . 0.0 106.519 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 m -138.79 117.12 11.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 45.46 39.65 4.84 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.355 1.862 . . . . 0.0 113.322 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.87 171.7 7.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.139 1.375 . . . . 0.0 111.928 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.96 143.27 40.63 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.353 1.061 . . . . 0.0 109.222 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.81 131.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.272 1.029 . . . . 0.0 108.534 -169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -132.8 126.57 32.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.601 0.761 . . . . 0.0 109.09 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt 32.47 50.1 0.18 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.071 2.148 . . . . 0.0 113.527 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -122.76 159.81 27.25 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.26 136.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.8 t -140.86 145.68 36.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.584 0.629 . . . . 0.0 110.845 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 m -136.43 112.83 9.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 46.03 56.13 6.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.279 2.232 . . . . 0.0 112.669 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.18 171.32 7.48 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.248 1.019 . . . . 0.0 110.362 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -130.67 110.46 11.39 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.4 mt -122.62 114.24 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -169.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -122.44 131.09 53.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.848 0.859 . . . . 0.0 108.914 -169.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.04 27.06 3.06 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.885 1.674 . . . . 0.0 113.678 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.5 m -115.53 163.7 15.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.588 0.755 . . . . 0.0 111.162 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -121.42 137.24 54.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.07 131.77 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -142.9 132.91 24.27 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.578 0.751 . . . . 0.0 109.187 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.8 mt 48.46 23.55 0.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.35 1.46 . . . . 0.0 114.403 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.4 m -104.79 162.03 13.66 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.972 -1.08 . . . . 0.0 110.652 -169.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.8 m -127.03 128.37 46.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.943 1.297 . . . . 0.0 107.707 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.82 129.75 50.04 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.195 0.998 . . . . 0.0 108.905 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -135.11 117.12 15.31 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.63 36.0 53.34 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.187 -0.785 . . . . 0.0 113.135 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -126.7 174.07 9.02 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.756 1.222 . . . . 0.0 109.977 -170.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -142.98 131.36 22.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -120.39 140.83 50.75 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.67 116.14 11.25 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.13 43.17 99.51 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.689 -1.062 . . . . 0.0 113.395 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -120.81 164.32 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.998 1.399 . . . . 0.0 111.318 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -120.33 125.68 48.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.385 -2.82 . . . . 0.0 103.385 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -138.05 132.21 42.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -131.76 132.11 43.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.072 0.949 . . . . 0.0 108.925 -170.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 51.86 30.97 7.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.876 1.27 . . . . 0.0 113.932 169.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -117.03 174.84 5.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.619 0.768 . . . . 0.0 111.694 -169.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -134.51 135.55 42.45 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.44 1.096 . . . . 0.0 108.117 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -134.73 131.22 37.36 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 m -132.64 126.66 33.16 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 34.83 53.79 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 117.692 -1.616 . . . . 0.0 114.448 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -134.81 149.45 50.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.664 2.232 . . . . 0.0 111.448 -169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -104.65 139.63 39.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.82 128.6 37.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.321 0 C-N-CA 124.565 1.146 . . . . 0.0 109.561 -173.418 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -139.41 126.32 20.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.294 1.438 . . . . 0.0 107.21 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -137.48 138.85 44.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -139.4 144.24 38.03 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.468 0.707 . . . . 0.0 109.996 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 p 45.78 39.13 4.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.776 2.03 . . . . 0.0 113.699 170.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -112.31 163.47 14.35 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.968 0.907 . . . . 0.0 110.568 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.1 m -129.86 129.1 43.52 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 171.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -136.4 133.39 49.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 -169.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -134.72 123.64 23.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 41.74 42.72 2.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.999 1.72 . . . . 0.0 113.92 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.41 0.01 70.72 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.447 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.2 112.9 42.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 169.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.99 132.03 45.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.608 0.64 . . . . 0.0 110.276 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -126.97 137.99 53.2 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.3 141.45 30.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -154.22 141.11 19.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.556 1.142 . . . . 0.0 109.065 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.17 21.55 73.88 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.865 -0.964 . . . . 0.0 113.993 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.73 162.86 14.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.771 1.286 . . . . 0.0 112.32 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -133.35 134.1 43.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.969 -2.234 . . . . 0.0 104.969 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.5 mp -127.77 141.01 51.7 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 m -149.13 167.39 26.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.569 1.148 . . . . 0.0 109.972 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.49 -178.5 1.78 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.173 0.589 . . . . 0.0 110.453 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.922 1.289 . . . . 0.0 108.08 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -80.52 128.73 33.93 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.586 -0.696 . . . . 0.0 109.358 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -84.85 -56.6 3.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.765 1.226 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -159.64 11.76 0.13 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.884 1.274 . . . . 0.0 111.986 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -71.08 157.38 38.28 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.939 -1.1 . . . . 0.0 110.799 -174.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -99.91 123.92 44.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 mm -124.65 120.05 57.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 -176.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -68.78 167.08 16.19 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.291 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -26.82 56.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.619 1.167 . . . . 0.0 113.812 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -110.17 -1.92 17.15 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.486 0.714 . . . . 0.0 112.176 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.4 m -79.21 167.21 21.29 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -144.26 161.19 39.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.608 0.763 . . . . 0.0 109.439 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 p -133.83 32.9 3.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.686 1.995 . . . . 0.0 111.219 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 t -48.04 119.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.145 1.778 . . . . 0.0 111.371 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt 35.87 40.05 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.535 2.334 . . . . 0.0 114.292 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -127.1 156.45 41.71 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.779 0.832 . . . . 0.0 108.989 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -93.96 142.87 26.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.23 130.88 25.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.67 85.43 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -169.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.75 44.21 28.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.057 1.743 . . . . 0.0 111.871 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 m -87.44 175.04 8.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.576 1.151 . . . . 0.0 108.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -126.21 120.9 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 mt -132.09 110.07 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -119.45 124.94 47.72 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.902 1.281 . . . . 0.0 109.409 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t30 38.15 36.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.255 2.222 . . . . 0.0 113.613 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.4 m -123.01 153.14 40.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 121.881 0.848 . . . . 0.0 111.72 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -119.23 91.97 3.68 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -169.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -82.33 119.92 24.75 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.57 162.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 118.815 0.734 . . . . 0.0 111.574 -171.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t0 36.38 88.32 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 128.76 2.824 . . . . 0.0 114.583 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.77 32.28 9.32 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -76.73 169.7 17.82 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.25 140.6 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.9 p -128.48 152.41 48.29 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.6 m -141.49 109.28 5.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.8 tpt85 55.11 16.24 1.51 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.995 1.318 . . . . 0.0 114.047 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -83.25 160.79 21.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.025 -1.047 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -118.07 124.7 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.899 1.68 . . . . 0.0 107.26 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -113.94 144.05 43.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -146.71 119.04 8.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 45.34 42.84 7.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.615 1.966 . . . . 0.0 113.413 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.86 9.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.343 1.457 . . . . 0.0 111.988 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.8 139.66 38.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.201 -0.937 . . . . 0.0 109.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.27 129.47 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.1 128.77 32.82 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.915 0.886 . . . . 0.0 109.711 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 30.99 52.13 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.346 2.258 . . . . 0.0 113.087 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.6 m -127.04 164.04 22.41 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.2 130.28 74.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -171.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -144.37 142.83 30.62 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.544 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -136.67 119.3 16.02 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 107.855 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 43.98 59.38 3.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.08 2.152 . . . . 0.0 112.234 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.46 168.9 9.46 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.468 0.707 . . . . 0.0 110.286 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -129.06 114.15 16.03 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.08 107.93 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.64 127.05 50.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -170.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp 50.56 31.59 5.81 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.9 1.28 . . . . 0.0 112.968 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -122.01 163.62 19.05 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.007 0.923 . . . . 0.0 110.613 -169.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.82 139.83 53.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.26 129.96 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -136.96 136.93 38.98 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.82 31.19 3.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.04 1.336 . . . . 0.0 114.177 173.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -116.25 164.23 14.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.88 1.272 . . . . 0.0 110.949 -169.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.6 m -125.48 135.76 52.65 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.46 1.104 . . . . 0.0 108.67 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 t -132.85 128.61 37.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.216 1.007 . . . . 0.0 109.263 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 m -137.72 123.55 20.03 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.24 37.82 47.88 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 123.56 0.6 . . . . 0.0 112.795 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.1 m -130.79 169.76 15.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.171 1.388 . . . . 0.0 109.301 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -136.39 146.05 46.03 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -124.72 130.8 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.9 116.08 15.2 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.81 45.62 94.67 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.8 -1.0 . . . . 0.0 113.244 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.71 160.84 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.296 1.548 . . . . 0.0 109.803 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.27 12.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 tt -117.6 134.63 60.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.93 0.892 . . . . 0.0 109.074 -171.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -138.8 139.9 38.39 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.554 0.342 . . . . 0.0 111.513 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.3 m 51.65 34.27 12.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.208 1.403 . . . . 0.0 113.084 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.3 m -122.7 179.46 4.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.008 0.923 . . . . 0.0 112.123 -169.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -146.08 137.7 24.89 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.578 -1.326 . . . . 0.0 108.697 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 p -138.25 129.04 26.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -136.58 117.91 14.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.34 45.25 96.34 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.076 -0.847 . . . . 0.0 111.831 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.502 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -140.98 114.98 9.13 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.693 1.247 . . . . 0.0 111.247 -169.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.6 m -88.35 130.62 35.1 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.9 132.46 43.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 124.456 1.102 . . . . 0.0 109.586 -174.66 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 t -132.03 140.87 49.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.005 1.322 . . . . 0.0 108.032 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.4 mt -137.84 137.44 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 m -139.32 145.4 39.02 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.044 0.538 . . . . 0.0 110.922 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p 43.64 44.48 5.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.795 1.638 . . . . 0.0 114.18 168.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.8 t -126.16 156.17 40.57 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.686 -0.634 . . . . 0.0 111.059 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.6 m -123.25 135.46 54.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.3 mt -136.75 130.19 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 m -131.81 122.85 26.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 38.96 51.75 1.9 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.769 1.628 . . . . 0.0 112.503 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.502 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.56 -7.02 70.52 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.797 -1.002 . . . . 0.0 114.343 173.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.82 109.09 23.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 119.384 1.592 . . . . 0.0 107.058 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 169.647 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.75 121.18 6.73 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.976 0.91 . . . . 0.0 110.475 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -131.63 134.19 45.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.52 136.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 -178.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.8 m -141.96 123.18 14.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.495 1.118 . . . . 0.0 108.375 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.64 17.49 78.08 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.57 -1.128 . . . . 0.0 114.897 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 163.88 12.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.287 1.543 . . . . 0.0 112.469 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.3 m -137.43 143.4 41.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.587 2.755 . . . . 0.0 104.557 169.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -147.9 166.15 28.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.975 0.807 . . . . 0.0 111.995 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.1 m -144.77 141.13 28.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.996 1.719 . . . . 0.0 108.251 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.82 145.91 40.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.08 0.552 . . . . 0.0 110.343 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 C--O 1.249 1.037 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 169.234 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -140.85 129.26 22.51 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.279 0.632 . . . . 0.0 109.671 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -79.81 -67.59 0.75 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -159.16 34.11 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.213 2.205 . . . . 0.0 109.855 -175.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -79.64 160.71 26.25 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 120.78 -1.2 . . . . 0.0 110.381 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.78 132.81 43.06 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.47 111.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 169.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -70.77 169.1 15.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 111.297 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.77 46.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.111 1.364 . . . . 0.0 114.415 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -117.17 6.78 12.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.698 0.799 . . . . 0.0 111.997 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -82.55 172.05 13.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.755 -0.59 . . . . 0.0 109.623 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -141.24 154.03 45.56 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.022 0.929 . . . . 0.0 109.485 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.96 28.82 2.59 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.451 1.501 . . . . 0.0 111.618 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -56.36 130.49 19.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 124.075 0.95 . . . . 0.0 110.905 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 pttt 37.47 40.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.726 2.41 . . . . 0.0 112.961 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -132.8 167.17 20.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.159 1.384 . . . . 0.0 108.674 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -125.04 134.48 52.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.6 122.59 26.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.408 0.683 . . . . 0.0 109.355 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -114.56 96.2 5.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 40.5 48.19 2.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 -173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.1 m -85.07 174.37 9.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -133.87 112.09 11.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -122.62 110.91 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -115.2 116.47 28.41 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.256 1.822 . . . . 0.0 108.495 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 41.95 34.11 0.42 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.322 1.849 . . . . 0.0 114.351 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.4 m -121.62 151.47 40.37 Favored 'General case' 0 CA--C 1.526 0.053 0 O-C-N 121.293 -0.879 . . . . 0.0 112.039 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.31 93.11 4.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.78 108.04 16.57 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.61 165.62 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.341 1.428 . . . . 0.0 112.172 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 52.84 72.5 0.41 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 126.435 1.894 . . . . 0.0 113.3 172.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.25 1.1 m 50.72 36.86 15.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.336 1.854 . . . . 0.0 114.0 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -78.78 151.52 31.94 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.18 130.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -172.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -132.38 150.86 52.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.678 0.672 . . . . 0.0 110.301 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -138.62 111.42 7.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 55.98 16.21 2.07 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -85.12 154.91 21.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.339 0.972 . . . . 0.0 109.996 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -100.56 133.98 44.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.359 1.464 . . . . 0.0 107.101 170.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.69 133.05 53.34 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 169.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -139.29 117.84 12.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.61 41.88 3.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.582 1.953 . . . . 0.0 113.38 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.39 166.0 15.41 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.324 1.45 . . . . 0.0 111.884 -169.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.12 144.56 50.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.304 1.042 . . . . 0.0 109.184 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 132.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 123.977 0.911 . . . . 0.0 109.081 -169.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -130.66 125.95 35.33 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt 35.38 49.53 0.49 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.237 2.215 . . . . 0.0 113.568 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -123.36 158.46 31.02 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.76 133.18 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -172.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 t -138.96 144.08 38.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.7 m -136.51 114.94 11.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.802 1.241 . . . . 0.0 107.782 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 47.24 51.8 12.82 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.595 1.958 . . . . 0.0 112.697 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -107.44 172.51 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.587 0.755 . . . . 0.0 110.729 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -135.66 102.11 4.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.7 mt -117.6 118.46 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -168.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.06 131.95 50.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.92 0.888 . . . . 0.0 109.115 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttp 50.75 29.16 4.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.915 1.686 . . . . 0.0 113.643 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -118.11 163.48 16.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.671 0.788 . . . . 0.0 110.935 -170.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -123.38 134.86 53.95 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.49 133.92 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.604 1.162 . . . . 0.0 108.223 -168.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.44 133.79 29.82 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.1 mt 47.06 27.67 0.79 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.021 1.328 . . . . 0.0 114.298 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -109.25 162.34 14.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.54 1.136 . . . . 0.0 110.94 -169.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m -127.26 128.48 46.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.555 1.142 . . . . 0.0 108.052 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.1 t -126.58 130.64 50.91 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.08 0.952 . . . . 0.0 109.105 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.7 m -135.79 120.57 18.47 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.46 43.05 51.96 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.754 171.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -136.62 171.3 14.69 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.192 0.997 . . . . 0.0 111.077 -170.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -133.71 140.76 47.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -122.75 140.73 52.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.62 116.69 12.5 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.7 45.3 94.81 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.575 -1.125 . . . . 0.0 113.357 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.2 164.58 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 119.11 1.455 . . . . 0.0 111.453 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -123.6 119.45 29.91 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 169.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -135.76 128.21 46.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -131.36 138.84 49.33 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.775 0.43 . . . . 0.0 110.526 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 53.05 30.38 9.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.493 1.517 . . . . 0.0 113.632 171.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.2 m -117.78 175.29 5.72 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.758 0.823 . . . . 0.0 111.951 -169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -136.74 138.14 40.66 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.439 1.096 . . . . 0.0 108.742 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 p -138.24 127.3 24.15 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.314 1.046 . . . . 0.0 108.611 -177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 m -138.32 117.75 12.88 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.25 1.02 . . . . 0.0 109.314 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.69 43.14 99.4 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 121.568 -0.708 . . . . 0.0 111.61 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.72 154.05 50.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.951 0.875 . . . . 0.0 111.134 -169.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -126.33 132.13 51.67 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 169.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.5 mm -127.36 130.96 70.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 -169.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.722 -0.611 . . . . 0.0 110.193 179.462 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.1 m -136.71 127.25 26.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.385 1.474 . . . . 0.0 107.557 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 mt -138.05 132.13 42.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -134.71 131.94 38.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.874 0.869 . . . . 0.0 108.96 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.255 7.6 p 48.21 32.01 2.88 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.844 1.658 . . . . 0.0 114.634 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 98.5 m -91.77 160.68 15.21 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.284 -0.885 . . . . 0.0 111.127 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.2 m -130.12 123.18 29.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.23 131.61 60.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -170.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 m -137.96 137.91 38.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -174.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 40.06 46.18 1.77 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.119 1.767 . . . . 0.0 113.66 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.87 85.57 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 117.509 -1.717 . . . . 0.0 115.093 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 p -131.73 138.39 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.443 2.122 . . . . 0.0 110.536 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 C-N-CA 123.329 0.652 . . . . 0.0 109.81 176.386 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 54.0 t -73.75 130.15 39.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.251 0.932 . . . . 0.0 109.277 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -131.01 132.32 44.9 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -143.72 146.32 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.244 1.018 . . . . 0.0 108.876 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m -157.55 146.04 19.34 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.281 1.032 . . . . 0.0 109.582 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.12 73.29 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.949 -0.917 . . . . 0.0 113.747 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 77.7 m -115.01 159.62 20.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.576 1.188 . . . . 0.0 112.059 -171.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.8 m -130.53 144.82 51.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.176 2.19 . . . . 0.0 106.256 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -129.12 143.55 50.9 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.628 1.171 . . . . 0.0 108.474 -174.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.4 m -142.32 152.01 42.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 108.876 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.38 30.51 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.464 0.706 . . . . 0.0 109.887 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 81.4 mmm . . . . . 0 C--O 1.251 1.149 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 169.276 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -80.76 121.49 25.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -78.93 -56.43 4.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.829 0.852 . . . . 0.0 109.541 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -162.53 15.54 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.049 1.339 . . . . 0.0 111.556 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -73.09 161.86 30.13 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.672 1.189 . . . . 0.0 111.055 -174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.86 135.11 49.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.435 1.494 . . . . 0.0 107.225 175.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.66 115.58 17.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -70.65 168.17 17.05 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.257 0.551 . . . . 0.0 111.579 -176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 -27.25 61.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.93 1.292 . . . . 0.0 114.411 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -114.18 4.16 15.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.547 0.739 . . . . 0.0 111.97 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.2 m -81.73 166.13 20.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 169.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.37 150.82 39.67 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 t -133.98 124.67 26.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.14 133.9 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 pttt 38.28 44.5 0.7 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.69 2.396 . . . . 0.0 113.591 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -136.9 177.73 7.63 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.107 1.363 . . . . 0.0 108.95 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -122.16 142.77 50.07 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.47 122.23 18.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 88.49 2.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -170.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.42 51.69 16.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.456 1.902 . . . . 0.0 111.588 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.38 175.1 5.81 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.175 0.99 . . . . 0.0 109.878 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.72 122.96 24.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.3 mt -128.67 105.83 13.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 -169.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -110.63 115.66 29.98 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 125.734 1.614 . . . . 0.0 108.353 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t30 41.3 34.62 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.221 1.808 . . . . 0.0 113.961 -171.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -120.57 158.81 26.53 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.081 0.953 . . . . 0.0 111.23 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -124.91 130.75 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -129.84 115.93 17.95 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.583 1.153 . . . . 0.0 108.053 -174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -142.33 164.46 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 50.54 74.81 0.2 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 127.732 2.413 . . . . 0.0 114.728 169.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m 50.13 41.58 23.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.257 1.823 . . . . 0.0 114.302 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -78.44 157.24 29.03 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 167.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.2 mt -139.25 96.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.4 t -87.68 143.88 26.94 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -137.99 122.95 19.0 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 45.31 23.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.322 2.649 . . . . 0.0 116.165 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -99.53 162.34 13.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.951 0.796 . . . . 0.0 110.997 -171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -110.64 129.49 55.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -117.31 136.98 52.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 m -141.59 115.46 9.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 44.09 43.52 5.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.842 2.057 . . . . 0.0 113.138 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.31 169.28 11.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.033 1.333 . . . . 0.0 112.222 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -131.08 140.61 50.07 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.108 0.963 . . . . 0.0 109.209 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.49 128.34 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -136.2 130.96 33.96 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.503 0.721 . . . . 0.0 109.509 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 35.76 48.85 0.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.664 1.986 . . . . 0.0 113.091 -176.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.8 m -128.32 155.87 43.96 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.41 136.15 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 -169.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -132.68 158.37 42.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 110.988 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -148.02 112.83 5.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 169.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 49.9 59.92 4.18 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 112.571 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 m -117.39 166.75 11.95 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.793 0.837 . . . . 0.0 110.582 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -131.13 122.31 26.45 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.7 mt -129.56 101.59 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -111.92 129.03 56.31 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 46.91 36.32 3.9 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.804 1.642 . . . . 0.0 113.306 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -121.73 166.79 13.78 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.513 0.725 . . . . 0.0 111.283 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -129.03 132.4 47.48 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.42 131.53 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -169.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -139.87 132.73 29.21 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt 49.25 27.37 1.84 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.324 1.05 . . . . 0.0 113.507 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -111.95 160.54 17.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.413 1.085 . . . . 0.0 111.231 -168.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 m -124.97 129.65 50.77 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.534 1.133 . . . . 0.0 108.103 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.47 126.02 43.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.048 0.939 . . . . 0.0 108.884 -174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -132.6 119.1 20.02 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.58 39.63 60.96 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.936 -0.925 . . . . 0.0 112.631 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -133.9 163.35 29.71 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.169 0.984 . . . . 0.0 112.54 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -120.27 136.7 54.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.201 1.0 . . . . 0.0 108.887 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -118.09 134.22 55.19 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 170.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -142.09 101.74 3.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.168 0.587 . . . . 0.0 109.568 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.32 43.83 68.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.997 -0.89 . . . . 0.0 112.896 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.77 163.69 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 118.902 1.351 . . . . 0.0 111.826 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -120.1 123.92 44.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.5 tt -136.92 132.07 47.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -136.97 133.54 35.71 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.835 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.6 m 52.33 32.46 11.07 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.914 1.285 . . . . 0.0 113.285 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -121.04 175.32 6.13 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.849 0.86 . . . . 0.0 112.053 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -137.72 138.58 39.48 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.205 1.002 . . . . 0.0 108.839 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 p -137.47 132.02 32.73 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.8 m -137.51 116.63 12.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.28 1.032 . . . . 0.0 108.687 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.03 53.59 45.17 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -139.73 159.49 42.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 117.888 0.844 . . . . 0.0 111.881 -169.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 m -130.75 128.56 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.67 130.87 64.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 N--CA 1.45 -0.447 0 C-N-CA 124.432 1.093 . . . . 0.0 110.847 -173.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.8 m -143.25 127.03 17.13 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.7 mt -137.39 136.99 46.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 125.396 1.478 . . . . 0.0 107.189 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.3 m -139.03 141.74 38.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.115 0.566 . . . . 0.0 109.629 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 p 45.95 36.92 3.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.562 1.945 . . . . 0.0 114.132 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -112.29 160.94 17.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 110.351 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.2 m -128.18 135.89 50.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 mt -137.46 129.69 41.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 m -133.68 125.33 28.42 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 41.59 48.52 3.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.688 1.195 . . . . 0.0 112.173 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.531 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.05 -16.19 17.55 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-O 118.897 -0.946 . . . . 0.0 114.247 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.06 104.25 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 119.434 1.617 . . . . 0.0 107.361 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.778 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.3 t -71.49 123.84 23.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.215 0.916 . . . . 0.0 108.778 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -120.26 139.81 52.14 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.99 131.71 52.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 m -138.56 22.55 2.71 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.73 48.01 0.01 OUTLIER Glycine 0 N--CA 1.467 0.76 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.548 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.3 m -122.79 163.07 20.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.038 0.919 . . . . 0.0 112.618 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 m -128.26 141.82 51.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 169.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -147.91 166.84 26.44 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.544 0.611 . . . . 0.0 111.298 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.0 m -157.24 164.42 37.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.597 1.559 . . . . 0.0 108.96 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.87 155.89 38.28 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.756 0.422 . . . . 0.0 110.111 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.255 1.022 . . . . 0.0 108.468 169.425 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 103.253 -2.869 . . . . 0.0 103.253 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -75.06 117.09 16.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.033 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -83.92 -56.82 3.48 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -164.12 54.5 0.15 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.015 1.726 . . . . 0.0 107.35 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -123.66 169.1 11.82 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.293 1.437 . . . . 0.0 112.143 -168.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -126.41 133.73 51.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.957 1.303 . . . . 0.0 107.691 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -129.87 118.27 43.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 p -72.68 166.08 23.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.183 0.516 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -26.57 60.49 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.024 1.329 . . . . 0.0 114.394 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -115.3 3.72 14.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 111.96 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -78.53 168.76 19.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -140.11 151.11 45.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.1 t -134.62 118.02 16.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 t -130.54 120.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 50.3 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.492 2.317 . . . . 0.0 115.289 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 m -98.77 159.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.006 0.922 . . . . 0.0 110.956 -168.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -105.89 141.92 36.48 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.4 102.61 6.96 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -99.14 81.87 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 50.77 77.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.048 1.739 . . . . 0.0 111.947 -169.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -130.9 167.76 18.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.567 1.147 . . . . 0.0 109.928 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -134.41 114.97 13.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.6 mt -120.67 108.69 23.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -169.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.03 117.47 33.42 Favored 'General case' 0 CA--C 1.526 0.041 0 C-N-CA 126.388 1.875 . . . . 0.0 108.563 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 40.22 33.95 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.741 2.016 . . . . 0.0 114.638 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.4 m -117.09 154.73 30.5 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.228 -0.92 . . . . 0.0 111.587 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -121.08 95.25 4.62 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -169.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.9 tp -95.57 121.53 37.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.052 1.341 . . . . 0.0 107.685 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.9 167.28 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 119.024 0.829 . . . . 0.0 112.487 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t0 53.81 61.71 2.96 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.787 2.035 . . . . 0.0 112.871 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 49.04 45.85 22.74 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -74.16 159.43 32.57 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.812 -1.922 . . . . 0.0 105.812 167.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.5 98.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.2 144.17 27.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -140.87 128.86 21.95 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 52.87 19.92 1.47 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.84 1.656 . . . . 0.0 114.62 173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 m -107.23 159.12 16.58 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.741 1.155 . . . . 0.0 113.3 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -106.38 126.74 52.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.918 1.687 . . . . 0.0 106.889 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.47 132.59 56.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 169.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.6 m -140.77 117.31 10.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 44.79 41.14 4.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.94 2.096 . . . . 0.0 113.101 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.87 171.75 8.68 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.059 1.344 . . . . 0.0 112.321 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -133.37 139.13 46.64 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.862 0.865 . . . . 0.0 108.776 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.77 127.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -132.33 127.64 36.01 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.798 0.839 . . . . 0.0 108.963 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttm 34.11 52.15 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.819 2.048 . . . . 0.0 112.656 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -127.98 160.1 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.33 136.1 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -133.42 151.89 51.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.366 0.53 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.5 m -138.9 113.24 8.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 169.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.03 65.76 1.33 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.371 1.868 . . . . 0.0 110.978 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.5 t -124.23 164.52 19.37 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.649 1.18 . . . . 0.0 109.615 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -127.35 129.09 46.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -124.15 100.18 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -109.89 128.03 55.09 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 51.02 26.45 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.803 1.641 . . . . 0.0 113.695 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -114.06 167.17 10.89 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.488 0.715 . . . . 0.0 111.499 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -126.75 127.39 44.99 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.42 132.04 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.037 0.935 . . . . 0.0 108.492 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.18 132.58 30.13 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.185 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt 48.06 32.43 2.93 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.31 0.959 . . . . 0.0 113.197 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -116.99 160.11 21.46 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.208 1.003 . . . . 0.0 110.54 -169.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.5 m -127.38 132.62 50.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 108.502 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -125.06 132.5 53.17 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.973 0.909 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -132.84 118.08 18.53 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.32 31.74 63.0 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 118.926 -0.93 . . . . 0.0 113.468 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.4 m -127.66 171.14 11.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.405 1.102 . . . . 0.0 111.121 -170.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -140.44 127.47 20.8 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.568 1.147 . . . . 0.0 107.948 -169.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -112.53 143.53 43.52 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.41 116.33 10.93 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.51 43.04 99.59 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 118.37 -1.239 . . . . 0.0 113.479 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.79 162.2 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 119.428 1.614 . . . . 0.0 111.198 -176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -120.05 122.77 41.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.348 -2.464 . . . . 0.0 104.348 169.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -139.59 130.91 33.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 118.509 0.595 . . . . 0.0 109.525 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -131.53 146.56 52.28 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m 53.22 31.46 11.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.852 1.261 . . . . 0.0 113.17 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -123.15 175.14 6.82 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.715 0.689 . . . . 0.0 112.729 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -136.56 139.64 42.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.358 1.063 . . . . 0.0 108.437 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -135.6 131.85 36.36 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -134.33 126.08 28.93 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.629 0.772 . . . . 0.0 108.919 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.47 42.23 50.43 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 118.279 -1.29 . . . . 0.0 114.0 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -139.53 157.01 46.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.341 2.071 . . . . 0.0 111.544 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -114.62 137.93 51.29 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.38 123.15 26.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 -171.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.235 0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 111.094 -169.658 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -134.2 128.01 33.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -137.81 138.81 43.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 124.915 1.286 . . . . 0.0 107.597 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.9 m -140.53 144.44 35.95 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.649 0.379 . . . . 0.0 110.127 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 p 46.82 41.34 10.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.165 1.386 . . . . 0.0 113.757 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.8 t -125.38 164.18 20.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.256 1.023 . . . . 0.0 110.807 -170.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -126.17 137.17 53.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 169.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.66 129.63 61.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.7 m -131.96 120.58 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 41.0 46.79 2.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.394 1.478 . . . . 0.0 113.169 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.74 -0.6 86.66 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.736 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.8 t -107.99 109.57 28.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 171.241 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 119.088 -0.482 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.07 120.61 15.19 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -112.29 144.25 42.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.7 tt -149.61 152.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 124.184 0.994 . . . . 0.0 110.225 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -158.31 152.62 24.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.927 1.291 . . . . 0.0 109.468 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.82 36.67 50.6 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 125.758 1.647 . . . . 0.0 114.215 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.1 t -123.98 156.99 35.42 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.105 0.953 . . . . 0.0 112.757 -169.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -132.69 139.69 47.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.441 1.896 . . . . 0.0 106.872 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.53 149.31 45.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.72 0.808 . . . . 0.0 108.913 -171.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 m -147.0 157.22 43.55 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 110.258 -173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.34 138.8 43.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 C--O 1.247 0.946 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.502 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.234 0.243 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -74.94 108.7 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -75.98 -58.03 3.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.775 0.43 . . . . 0.0 109.989 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -162.65 40.74 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.559 1.543 . . . . 0.0 109.318 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -113.86 170.21 8.43 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.478 1.911 . . . . 0.0 111.199 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -112.22 133.68 54.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 173.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 116.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 103.198 -2.89 . . . . 0.0 103.198 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.6 p -68.69 168.61 12.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 111.401 -172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.15 -27.06 52.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.568 1.147 . . . . 0.0 113.734 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -108.76 -5.79 16.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.166 0.587 . . . . 0.0 112.331 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -73.88 170.58 15.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -151.63 142.13 22.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.914 -1.116 . . . . 0.0 108.648 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.91 146.26 40.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -148.77 138.24 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -176.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 40.52 34.0 0.21 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.644 1.978 . . . . 0.0 115.349 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 m -138.03 166.05 25.07 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.231 1.812 . . . . 0.0 109.184 -171.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -126.27 136.56 52.93 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.06 126.24 42.71 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.73 86.97 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 47.37 55.28 8.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.473 1.909 . . . . 0.0 112.195 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -100.53 170.92 8.05 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.167 0.587 . . . . 0.0 109.417 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -134.05 113.52 12.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mt -124.45 110.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -169.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.92 122.8 42.04 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.929 1.291 . . . . 0.0 109.023 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t30 41.02 36.85 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.769 2.028 . . . . 0.0 113.076 -169.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 m -127.69 170.09 13.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.908 0.883 . . . . 0.0 112.145 -169.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -131.91 140.4 49.04 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.835 -0.541 . . . . 0.0 111.734 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.71 96.4 3.81 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.803 1.641 . . . . 0.0 107.638 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 169.16 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 57.34 53.21 7.82 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.965 1.706 . . . . 0.0 112.353 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.371 2.4 m 52.32 49.62 20.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -174.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 m -78.68 157.0 28.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.3 131.88 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -130.21 138.68 50.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -139.04 126.39 21.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 44.19 38.34 2.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.633 1.973 . . . . 0.0 115.054 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -120.33 166.13 13.93 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.919 0.888 . . . . 0.0 111.492 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -119.04 125.91 50.46 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.703 1.601 . . . . 0.0 107.633 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -115.48 134.85 54.69 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 m -140.37 116.12 10.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 45.77 39.22 4.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.135 1.774 . . . . 0.0 113.357 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.79 170.85 11.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.589 1.556 . . . . 0.0 112.107 -169.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -138.01 139.35 39.59 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.945 -1.097 . . . . 0.0 109.802 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -136.25 129.91 47.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -174.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -133.42 127.99 34.55 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.251 1.02 . . . . 0.0 108.401 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 36.81 43.71 0.3 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.879 2.072 . . . . 0.0 114.005 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -122.39 155.26 36.44 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 121.327 -0.858 . . . . 0.0 109.344 -173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 113.74 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.254 1.3 m -129.02 134.17 48.03 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -168.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -136.06 126.36 26.55 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.862 1.265 . . . . 0.0 107.805 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 47.24 61.72 2.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.531 1.533 . . . . 0.0 112.601 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.6 m -127.1 165.3 19.79 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.846 -0.534 . . . . 0.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.05 112.17 12.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.9 mt -122.24 107.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -118.07 129.78 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.82 35.53 1.51 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.281 1.832 . . . . 0.0 114.209 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.7 m -119.78 165.16 14.91 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.646 0.778 . . . . 0.0 110.74 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -124.98 140.65 52.73 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.9 t -135.62 130.95 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.75 130.27 29.59 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp 48.49 27.69 1.5 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.003 1.721 . . . . 0.0 113.521 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -107.57 164.18 12.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.917 1.287 . . . . 0.0 110.6 -169.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 m -124.55 129.25 50.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.7 t -125.78 128.11 47.2 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.259 1.024 . . . . 0.0 108.317 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -137.0 120.16 16.69 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.73 39.81 62.34 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.228 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.0 m -135.57 169.62 17.23 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.842 -169.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -133.9 141.7 47.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -124.22 132.18 53.58 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.65 97.83 3.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.152 0.581 . . . . 0.0 109.691 -175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.9 46.89 63.75 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 118.929 -0.928 . . . . 0.0 112.339 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.96 167.54 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.67 1.235 . . . . 0.0 111.354 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -126.4 123.46 37.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -137.11 132.74 47.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -134.52 133.53 40.43 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.125 0.97 . . . . 0.0 109.319 -169.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m 51.02 31.48 6.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.329 1.452 . . . . 0.0 113.676 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -117.29 175.23 5.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.946 0.898 . . . . 0.0 111.538 -169.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -135.74 134.91 39.55 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.1 p -136.98 126.15 24.62 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.2 m -137.06 117.22 13.44 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.239 1.016 . . . . 0.0 108.769 -171.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.51 46.97 93.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 121.664 -0.648 . . . . 0.0 111.482 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.45 142.88 39.46 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.945 0.872 . . . . 0.0 110.152 -169.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -119.95 131.67 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -134.64 132.09 54.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.45 -0.444 0 C-N-CA 125.515 1.526 . . . . 0.0 110.767 -176.79 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.7 m -139.07 123.74 18.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -136.04 133.23 50.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -137.93 137.24 37.8 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.686 0.794 . . . . 0.0 109.407 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.267 7.7 p 47.94 32.56 2.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.45 161.04 14.8 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 121.383 -0.823 . . . . 0.0 111.045 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.2 m -129.38 127.67 41.49 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 169.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 mt -136.82 128.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.2 m -137.38 134.94 36.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 44.72 44.51 7.6 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.917 1.287 . . . . 0.0 112.216 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.89 10.96 84.41 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 117.65 -1.639 . . . . 0.0 115.224 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.63 139.06 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 120.662 2.231 . . . . 0.0 110.361 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 0 C-N-CA 123.719 0.808 . . . . 0.0 110.204 176.698 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.18 129.49 38.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.2 0.909 . . . . 0.0 108.961 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -129.33 126.41 38.88 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 171.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.7 tt -141.49 139.2 32.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 124.013 0.925 . . . . 0.0 109.325 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 m -149.09 145.6 27.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.781 1.232 . . . . 0.0 108.94 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.36 19.96 64.91 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.611 -1.105 . . . . 0.0 115.386 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.53 160.94 14.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 112.123 -174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -138.31 131.58 30.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 169.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.46 162.92 37.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.95 0.796 . . . . 0.0 111.713 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m -148.92 163.49 37.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.119 1.768 . . . . 0.0 108.963 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.19 156.93 38.62 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.238 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.248 0.994 0 C-N-CA 124.363 1.065 . . . . 0.0 108.858 169.386 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 105.006 -2.22 . . . . 0.0 105.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -103.82 129.89 51.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.604 0.761 . . . . 0.0 109.883 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -80.82 -63.73 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -155.76 13.52 0.34 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.203 1.801 . . . . 0.0 112.004 -170.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.432 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.3 m -65.91 160.44 23.38 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.383 1.073 . . . . 0.0 111.015 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -112.57 135.06 53.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.116 0.966 . . . . 0.0 109.261 173.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 120.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -70.4 168.43 16.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.199 0.523 . . . . 0.0 111.555 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.8 61.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.531 1.132 . . . . 0.0 113.759 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -111.07 1.59 17.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.523 0.729 . . . . 0.0 112.125 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.4 m -81.73 167.25 19.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -144.14 151.54 39.68 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.635 -0.666 . . . . 0.0 109.3 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -132.76 120.32 21.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 169.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -137.31 125.94 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -171.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? 38.71 38.73 0.28 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.736 2.015 . . . . 0.0 112.998 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -135.72 162.92 31.41 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.301 1.441 . . . . 0.0 108.704 -170.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -116.99 138.9 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -172.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.56 112.57 9.66 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -108.52 94.9 5.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.13 57.55 4.67 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.119 1.768 . . . . 0.0 112.495 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.432 ' H ' ' CB ' ' A' ' 9' ' ' SER . 23.8 m -102.1 173.6 6.31 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.735 1.214 . . . . 0.0 109.576 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -124.51 127.02 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -135.37 106.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.46 124.99 47.85 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.971 1.308 . . . . 0.0 108.357 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t30 39.19 30.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.304 2.241 . . . . 0.0 113.958 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.6 m -117.43 155.15 30.16 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.731 0.812 . . . . 0.0 111.418 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -124.32 118.82 27.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 -169.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -119.03 101.57 8.12 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.6 m -132.79 165.42 32.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.2 68.02 0.91 Allowed 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.375 1.87 . . . . 0.0 113.099 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.263 1.2 m 53.39 38.67 28.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.229 1.412 . . . . 0.0 114.185 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.3 m -76.89 155.08 33.12 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 167.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.2 129.77 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 105.515 -2.032 . . . . 0.0 105.515 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.05 149.92 50.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.42 0.554 . . . . 0.0 109.744 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.2 m -140.86 122.63 15.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 44.28 43.09 5.7 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.378 1.871 . . . . 0.0 112.82 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -122.85 164.41 18.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.931 0.892 . . . . 0.0 110.58 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -122.7 133.56 54.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.513 1.525 . . . . 0.0 108.289 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -128.24 135.33 49.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.974 1.31 . . . . 0.0 107.623 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 m -138.22 118.05 13.24 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t0 45.88 42.66 9.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.784 2.033 . . . . 0.0 113.589 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.69 166.05 15.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.074 1.35 . . . . 0.0 112.132 -169.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -128.19 142.27 51.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.791 0.836 . . . . 0.0 109.575 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 t -142.27 129.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -170.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -135.19 128.93 32.94 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 38.12 43.17 0.54 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.85 2.06 . . . . 0.0 114.005 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -119.94 153.36 36.04 Favored 'General case' 0 C--N 1.334 -0.108 0 O-C-N 121.717 -0.614 . . . . 0.0 109.35 -173.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.95 118.94 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -170.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -131.0 133.92 46.22 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -169.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 m -136.26 122.62 20.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 42.7 64.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.146 1.778 . . . . 0.0 112.978 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -124.65 165.39 17.99 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.122 0.569 . . . . 0.0 111.362 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -132.15 113.27 13.1 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.67 111.84 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.03 131.1 53.82 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.569 0.748 . . . . 0.0 109.335 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 mttm 44.31 37.17 1.85 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.172 1.789 . . . . 0.0 113.678 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -119.21 164.71 15.2 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.594 0.757 . . . . 0.0 110.349 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.35 135.66 53.5 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 174.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.36 128.26 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -169.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -137.5 129.38 28.82 Favored 'General case' 0 C--N 1.335 -0.06 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp 46.93 29.61 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.361 1.865 . . . . 0.0 113.592 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -108.06 162.92 13.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -123.04 131.25 53.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.956 1.302 . . . . 0.0 108.259 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.5 t -128.05 126.09 40.57 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.979 1.311 . . . . 0.0 108.034 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 m -137.31 119.13 15.17 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.12 43.62 50.43 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -135.09 170.99 15.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.039 1.335 . . . . 0.0 109.316 -169.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.14 146.64 40.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 121.127 -0.983 . . . . 0.0 108.394 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -124.43 132.86 53.51 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -139.62 99.89 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.9 66.58 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.725 -1.042 . . . . 0.0 112.567 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.69 165.76 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 118.967 1.384 . . . . 0.0 111.594 -176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -121.61 125.06 45.82 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -137.49 133.23 45.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -136.36 132.0 35.0 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.178 0.991 . . . . 0.0 109.209 -169.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m 51.12 30.94 6.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 113.584 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -116.77 174.11 6.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.754 0.821 . . . . 0.0 111.732 -169.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.3 m -133.46 138.33 46.13 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.88 1.272 . . . . 0.0 107.597 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 p -140.87 129.3 22.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.503 1.121 . . . . 0.0 108.001 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.12 117.22 10.57 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.765 1.226 . . . . 0.0 108.229 -172.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.12 99.73 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.447 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -136.19 104.6 5.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.363 1.081 . . . . 0.0 112.343 -168.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -84.46 128.09 34.39 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.2 mt -135.32 139.4 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.864 1.266 . . . . 0.0 107.772 -171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.451 -0.411 0 C-N-CA 126.883 2.073 . . . . 0.0 110.126 -172.832 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.726 0.298 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -139.07 128.69 24.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.404 1.882 . . . . 0.0 106.166 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.4 mt -137.54 131.47 44.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -137.74 136.22 37.12 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.777 0.831 . . . . 0.0 109.539 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.27 8.0 p 47.33 32.03 2.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.705 2.002 . . . . 0.0 114.582 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 99.2 m -91.73 159.97 15.58 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.3 m -130.33 120.99 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.3 mt -132.0 131.52 61.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -169.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.0 m -135.62 130.67 34.76 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 45.56 42.37 8.0 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.027 1.331 . . . . 0.0 112.85 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.447 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 77.11 15.4 81.65 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.235 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.8 t -124.86 119.17 55.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.796 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.47 129.33 38.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 119.253 0.933 . . . . 0.0 109.17 175.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -129.01 125.77 38.07 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -141.01 140.27 32.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 124.125 0.97 . . . . 0.0 109.357 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 m -149.26 145.23 26.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.528 1.131 . . . . 0.0 109.138 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 60.9 20.64 57.71 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.058 1.313 . . . . 0.0 115.926 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.59 159.72 14.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.82 1.31 . . . . 0.0 112.282 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 m -133.17 149.86 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.62 162.52 40.85 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.477 1.035 . . . . 0.0 110.794 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.9 m -139.14 12.37 2.61 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.043 0.937 . . . . 0.0 112.584 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 50.58 -144.15 0.56 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.611 1.164 . . . . 0.0 110.936 -176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.248 0.974 0 C-N-CA 127.468 2.307 . . . . 0.0 106.214 169.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.942 0.401 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.02 -168.24 34.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -74.72 44.07 0.21 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.416 1.886 . . . . 0.0 112.182 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 m -57.21 148.72 21.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.374 1.07 . . . . 0.0 110.098 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 t -121.17 61.14 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -83.58 128.01 34.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.32 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 p -80.59 -61.31 2.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.535 0.734 . . . . 0.0 109.488 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -156.58 8.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.01 1.724 . . . . 0.0 113.467 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 167.52 16.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.91 1.284 . . . . 0.0 111.5 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -102.73 135.68 43.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.32 118.07 22.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.5 p -69.98 168.59 15.06 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.171 0.51 . . . . 0.0 111.202 -174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.75 -26.5 45.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.725 1.21 . . . . 0.0 113.749 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -111.46 -4.3 14.89 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.352 0.661 . . . . 0.0 112.434 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.1 m -73.96 171.84 12.72 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -150.87 146.36 26.27 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.27 -0.894 . . . . 0.0 109.71 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 p -134.78 141.33 46.42 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.675 0.79 . . . . 0.0 109.603 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -147.23 128.89 6.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 pttt 34.22 47.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.485 2.314 . . . . 0.0 113.407 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -141.61 156.73 45.66 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.904 1.282 . . . . 0.0 108.937 -173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -116.51 143.71 45.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.787 0.835 . . . . 0.0 109.165 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 127.96 24.28 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 m -123.85 101.12 7.1 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.378 1.071 . . . . 0.0 109.411 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 51.52 35.75 15.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.204 1.401 . . . . 0.0 112.776 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 m -83.62 170.09 14.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.103 -0.998 . . . . 0.0 109.097 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.64 100.23 4.57 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mm -110.98 109.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -119.8 123.32 43.39 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.663 1.185 . . . . 0.0 108.941 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.88 35.49 0.23 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.788 2.035 . . . . 0.0 113.419 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -124.02 167.26 14.42 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.655 0.782 . . . . 0.0 112.831 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -127.34 124.09 37.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.387 1.075 . . . . 0.0 108.177 -169.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.99 95.44 4.66 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.27 162.77 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 50.66 74.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.795 2.038 . . . . 0.0 113.275 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.2 m 50.95 37.71 18.26 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.42 1.888 . . . . 0.0 114.031 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 m -76.3 152.9 36.3 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.4 mt -138.77 128.76 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.53 149.65 50.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -143.03 121.43 12.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 41.27 38.18 0.74 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.895 2.078 . . . . 0.0 114.544 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -112.98 155.65 24.42 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.555 0.742 . . . . 0.0 110.641 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -106.6 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.503 1.521 . . . . 0.0 107.091 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -117.43 135.15 54.09 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.8 m -140.11 115.86 10.21 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 46.88 39.37 7.36 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.079 1.751 . . . . 0.0 113.271 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.06 167.23 14.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.088 1.355 . . . . 0.0 112.29 -169.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -129.64 139.16 51.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 124.246 1.018 . . . . 0.0 109.131 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.46 135.6 46.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.85 133.0 41.04 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.382 1.073 . . . . 0.0 108.504 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttt 39.72 33.84 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.762 2.425 . . . . 0.0 115.626 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -110.11 161.49 15.5 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.474 -0.766 . . . . 0.0 109.318 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.88 116.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.74 -2.318 . . . . 0.0 104.74 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.268 1.5 m -130.39 133.7 46.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -168.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 m -136.3 128.39 29.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.299 1.04 . . . . 0.0 108.491 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 50.33 44.57 26.57 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.206 1.802 . . . . 0.0 113.248 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.49 167.53 10.24 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.55 -0.719 . . . . 0.0 111.165 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -132.22 111.68 11.61 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.0 mt -122.07 104.66 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 -169.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -115.74 128.75 56.1 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.6 36.97 1.93 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 113.8 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m -118.91 167.31 11.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.712 . . . . 0.0 111.187 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.87 130.06 46.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.051 1.741 . . . . 0.0 106.555 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.11 134.16 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -137.98 127.31 24.66 Favored 'General case' 0 C--O 1.23 0.052 0 C-N-CA 123.227 0.611 . . . . 0.0 109.403 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.02 43.6 1.32 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.49 1.916 . . . . 0.0 114.011 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -115.21 161.93 17.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.068 1.347 . . . . 0.0 109.381 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -122.38 95.87 4.81 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 t -91.74 127.99 37.41 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m -134.95 114.34 12.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.18 32.16 56.86 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.91 -0.939 . . . . 0.0 113.197 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -124.05 164.99 18.26 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.332 1.066 . . . . 0.0 111.907 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -120.21 136.09 54.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -119.91 131.65 55.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.63 103.0 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.59 43.67 85.01 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.734 -1.037 . . . . 0.0 112.751 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -124.44 166.42 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.089 1.444 . . . . 0.0 111.768 -173.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -124.69 123.38 39.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.8 tt -139.27 134.04 40.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 118.778 0.717 . . . . 0.0 109.221 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -136.61 144.64 44.19 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 51.62 32.58 9.36 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.509 1.523 . . . . 0.0 113.332 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -120.2 174.39 6.53 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.75 0.82 . . . . 0.0 111.75 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -137.16 137.43 39.18 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.833 1.253 . . . . 0.0 107.639 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -139.84 128.6 23.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.9 m -133.24 108.94 9.08 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.681 0.792 . . . . 0.0 109.243 -169.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 40.68 96.89 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.398 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 103' ' ' GLY . 76.0 p -116.03 167.26 11.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.055 1.428 . . . . 0.0 111.464 -172.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.6 m -137.12 123.56 20.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.3 mt -130.4 126.14 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -168.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.2 m -139.97 166.97 23.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.628 1.171 . . . . 0.0 110.659 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.43 -79.27 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.7 167.37 73.94 Favored 'Cis proline' 0 CA--C 1.539 0.739 0 CA-C-N 119.791 1.795 . . . . 0.0 110.746 -10.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.35 15.71 77.77 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -172.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t -60.96 143.0 56.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.7 m -135.54 129.05 32.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -137.66 135.63 46.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 m -136.87 135.68 38.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.502 0.721 . . . . 0.0 109.196 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.7 p 48.84 39.31 13.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.8 m -105.4 160.35 15.21 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.169 0.988 . . . . 0.0 111.285 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 84.7 m -126.85 128.07 45.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.16 132.4 46.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -133.88 126.29 30.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 39.38 48.14 1.64 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.685 1.594 . . . . 0.0 113.601 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' H ' HG23 ' A' ' 86' ' ' THR . . . 89.05 -2.83 84.28 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.514 -1.159 . . . . 0.0 114.136 173.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -111.94 116.75 53.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 119.382 1.591 . . . . 0.0 107.533 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.24 151.92 26.61 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.353 0.661 . . . . 0.0 109.962 173.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 p -63.31 147.07 95.58 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.642 0.777 . . . . 0.0 110.549 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -81.83 11.42 3.12 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.702 2.935 . . . . 0.0 113.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.13 137.92 56.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.082 0.953 . . . . 0.0 109.144 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.46 -18.36 61.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 112.458 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.08 67.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.482 0.583 . . . . 0.0 111.696 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.17 118.34 16.0 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -111.78 142.54 44.01 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.8 138.83 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -142.52 144.75 33.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.614 1.166 . . . . 0.0 108.458 170.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.1 51.24 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.813 1.197 . . . . 0.0 114.682 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.8 t -119.07 162.16 19.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.906 1.353 . . . . 0.0 112.442 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.6 m -131.11 140.97 50.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 126.355 1.862 . . . . 0.0 107.303 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.1 mt -118.44 150.64 39.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.631 1.172 . . . . 0.0 108.164 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 p -154.2 160.34 41.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.147 0.979 . . . . 0.0 109.254 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.72 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 171.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.348 169.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.71 -31.48 1.49 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.346 0.974 . . . . 0.0 111.7 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m 64.41 156.38 0.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.235 1.814 . . . . 0.0 111.394 -174.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.79 159.9 19.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.724 2.01 . . . . 0.0 106.016 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.39 121.66 55.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -132.92 136.03 45.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.251 0.478 . . . . 0.0 110.317 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 m -126.06 96.94 4.9 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.328 1.851 . . . . 0.0 106.356 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t30 55.87 16.37 2.06 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.14 2.176 . . . . 0.0 116.254 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -74.21 159.6 32.29 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.41 -1.431 . . . . 0.0 110.321 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -111.92 134.25 53.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.88 115.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 p -70.77 170.62 12.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.498 0.666 . . . . 0.0 111.884 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -28.69 66.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.434 1.093 . . . . 0.0 113.804 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -111.72 31.17 6.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.036 0.934 . . . . 0.0 110.977 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -128.11 155.72 43.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.186 1.394 . . . . 0.0 109.096 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -148.54 153.67 38.72 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.543 0.737 . . . . 0.0 109.362 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -125.39 49.01 1.95 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.43 1.492 . . . . 0.0 109.692 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' C ' ' H ' ' A' ' 20' ' ' SER . 22.3 t -54.19 112.51 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.966 1.706 . . . . 0.0 110.776 -169.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 59.99 -22.02 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.805 2.842 . . . . 0.0 114.838 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 18' ' ' VAL . 29.7 m -60.54 155.34 18.79 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 125.398 1.479 . . . . 0.0 112.622 -174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.8 m -94.45 145.07 25.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.06 124.67 16.83 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 m -124.19 111.99 16.53 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.76 43.28 2.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.911 2.485 . . . . 0.0 113.471 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 170.92 10.69 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.481 0.713 . . . . 0.0 109.405 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -134.17 116.33 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -124.3 108.34 20.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -169.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.01 115.2 27.24 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.799 1.639 . . . . 0.0 108.591 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t30 44.15 34.52 1.0 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.969 1.708 . . . . 0.0 113.606 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -126.05 156.35 40.08 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.225 1.01 . . . . 0.0 111.217 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -129.76 134.56 47.67 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.67 93.25 3.29 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 -170.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.88 176.27 3.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -167.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.4 t0 56.99 49.54 13.72 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.167 1.787 . . . . 0.0 111.594 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 57.24 44.8 21.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.673 1.189 . . . . 0.0 112.793 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -71.64 176.81 4.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 168.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.56 136.45 35.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.451 -0.781 . . . . 0.0 109.046 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.24 144.06 47.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -139.93 104.3 4.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 51.84 49.57 20.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.712 1.605 . . . . 0.0 111.439 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.4 m -124.75 154.4 40.95 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.945 0.898 . . . . 0.0 111.005 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -107.54 141.13 39.46 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.036 1.734 . . . . 0.0 108.326 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -138.39 129.66 27.32 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.43 114.52 8.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.6 t70 46.04 38.18 4.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.618 1.967 . . . . 0.0 113.939 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.59 16.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.347 1.459 . . . . 0.0 111.709 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -128.58 140.67 51.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 123.916 0.886 . . . . 0.0 109.018 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.0 136.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -137.7 129.64 28.77 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt 37.22 48.34 0.77 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.213 2.205 . . . . 0.0 113.239 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.5 m -119.11 168.28 11.0 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.363 -0.835 . . . . 0.0 109.351 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.5 130.55 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -134.71 156.51 48.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.598 1.09 . . . . 0.0 113.229 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.7 m -148.46 113.01 5.33 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 51.17 74.94 0.21 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.0 1.72 . . . . 0.0 112.012 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.7 t -124.05 158.66 31.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.15 0.98 . . . . 0.0 109.292 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -135.47 119.62 17.67 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.14 104.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.403 -1.702 . . . . 0.0 106.403 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.21 126.87 54.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 52.09 19.99 1.18 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.168 1.787 . . . . 0.0 114.555 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.2 m -106.44 166.2 10.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.588 0.755 . . . . 0.0 111.074 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -128.42 120.81 27.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -127.5 135.51 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.845 0.858 . . . . 0.0 108.806 -168.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -140.31 127.28 20.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -174.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 mp 48.28 28.65 1.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.592 1.557 . . . . 0.0 113.952 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -107.96 160.56 15.68 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.325 1.05 . . . . 0.0 110.269 -169.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.2 m -123.88 128.71 49.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.685 1.194 . . . . 0.0 108.197 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.2 t -124.11 121.48 35.26 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.269 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.2 m -131.64 112.16 12.33 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.15 34.28 58.49 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.447 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.2 m -128.78 174.55 9.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.313 1.056 . . . . 0.0 111.686 -169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -148.33 138.71 22.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.478 -0.764 . . . . 0.0 109.938 -169.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -125.37 139.05 54.01 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.835 1.254 . . . . 0.0 107.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.22 115.07 11.39 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.054 0.941 . . . . 0.0 108.956 173.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.57 44.73 95.36 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.579 1.085 . . . . 0.0 113.705 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 159.87 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 118.933 1.367 . . . . 0.0 111.475 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.56 124.9 53.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.14 132.19 42.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 119.603 1.092 . . . . 0.0 108.914 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -132.76 132.79 42.65 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -169.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 50.26 32.06 5.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.789 1.235 . . . . 0.0 113.542 169.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -116.08 172.86 6.9 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.755 0.822 . . . . 0.0 111.443 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 m -134.92 134.05 40.23 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 p -134.46 128.87 34.31 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 m -132.17 124.62 29.42 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 108.995 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.31 37.55 48.01 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.104 -1.387 . . . . 0.0 113.676 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -135.75 155.22 50.72 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.067 1.933 . . . . 0.0 111.039 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -116.21 144.34 44.33 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mt -138.0 129.46 38.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -138.91 166.89 23.28 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.167 0.987 . . . . 0.0 109.848 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.32 -86.95 0.09 OUTLIER Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.37 169.0 71.22 Favored 'Cis proline' 0 CA--C 1.541 0.827 0 CA-C-N 119.97 1.885 . . . . 0.0 111.004 -10.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.1 15.21 77.65 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.631 0.634 . . . . 0.0 111.637 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.8 t -65.24 146.56 54.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.405 1.082 . . . . 0.0 108.635 173.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -139.1 130.27 26.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 mt -138.16 139.46 42.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 125.043 1.337 . . . . 0.0 107.432 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.0 m -141.13 143.92 34.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.0 p 46.52 34.92 2.59 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.868 2.067 . . . . 0.0 114.243 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.7 t -108.88 163.27 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.962 0.905 . . . . 0.0 110.704 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 m -126.07 133.54 51.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.88 130.99 41.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 m -133.71 125.04 27.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 40.99 51.15 3.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.485 1.514 . . . . 0.0 113.454 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.77 4.2 87.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.449 -1.195 . . . . 0.0 113.74 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.3 t -123.97 117.79 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 119.401 1.6 . . . . 0.0 108.025 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.1 151.47 37.03 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.575 0.75 . . . . 0.0 110.118 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.4 p -66.32 152.14 94.81 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 122.85 0.46 . . . . 0.0 110.415 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.49 10.62 3.5 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.69 2.927 . . . . 0.0 113.361 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.58 138.57 55.2 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.049 0.94 . . . . 0.0 109.098 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -19.34 63.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.158 0.583 . . . . 0.0 112.355 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.52 -26.11 65.28 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.917 0.487 . . . . 0.0 111.682 175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.57 126.23 29.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 118.929 0.786 . . . . 0.0 109.133 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 136.0 54.43 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 169.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.55 135.6 26.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 m -145.48 132.13 19.92 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.842 1.257 . . . . 0.0 108.768 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.88 25.57 73.15 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 119.04 -0.866 . . . . 0.0 114.086 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.1 m -110.37 162.56 14.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.599 1.199 . . . . 0.0 112.084 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 m -129.15 145.68 51.25 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.442 1.897 . . . . 0.0 106.511 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.12 146.93 50.95 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.624 1.17 . . . . 0.0 108.836 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -147.39 148.55 31.44 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 108.72 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.42 140.9 55.81 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 60.3 tpp . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.43 177.72 47.94 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -134.41 44.27 2.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.447 1.499 . . . . 0.0 107.165 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.6 p -145.08 168.58 19.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.207 1.403 . . . . 0.0 109.683 -169.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -80.69 69.92 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.5 116.07 17.78 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -79.07 -57.85 3.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.804 0.841 . . . . 0.0 110.1 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -162.04 34.28 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.07 1.348 . . . . 0.0 110.639 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 m -103.79 163.99 11.98 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.71 1.604 . . . . 0.0 110.436 -170.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.24 132.16 55.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -128.33 122.58 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -71.13 166.65 21.0 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.965 0.802 . . . . 0.0 110.923 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -26.34 57.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 0.0 113.729 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.47 -2.49 15.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.623 0.769 . . . . 0.0 112.275 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -72.17 172.18 10.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 109.965 169.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -135.91 143.76 45.15 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.953 1.301 . . . . 0.0 107.792 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.21 110.98 6.5 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 104.414 -2.439 . . . . 0.0 104.414 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.97 124.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt 60.37 -22.41 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.468 2.707 . . . . 0.0 115.559 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -60.97 174.69 0.59 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.96 1.704 . . . . 0.0 113.233 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -118.77 144.36 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.29 128.93 22.96 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.67 88.51 2.9 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -172.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 46.67 51.77 11.85 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.572 1.949 . . . . 0.0 112.708 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.92 171.56 9.21 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -134.65 110.38 9.25 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -116.34 109.11 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -170.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -119.43 119.95 35.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.854 1.262 . . . . 0.0 108.36 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t30 39.53 38.01 0.35 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.695 1.998 . . . . 0.0 113.06 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -125.07 163.58 22.08 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 123.908 0.883 . . . . 0.0 111.855 -169.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -125.83 93.27 3.79 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.058 0.943 . . . . 0.0 108.504 -170.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.4 tp -87.64 87.78 7.48 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.87 175.11 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -168.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.8 66.61 0.79 Allowed 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.924 2.489 . . . . 0.0 112.657 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.59 38.79 30.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 170.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -73.21 172.79 10.47 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.5 tt -142.1 145.03 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 O-C-N 121.028 -1.045 . . . . 0.0 110.139 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.2 p -136.42 152.43 50.59 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.928 0.491 . . . . 0.0 109.854 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -141.58 106.31 4.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.3 ttp85 46.38 39.12 6.03 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.536 1.535 . . . . 0.0 113.138 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -102.74 160.0 14.98 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.127 0.571 . . . . 0.0 109.865 172.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -114.83 132.57 56.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 125.694 1.597 . . . . 0.0 107.297 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -123.48 132.01 53.8 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -137.06 116.06 12.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 46.54 42.4 11.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.561 1.944 . . . . 0.0 112.654 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.96 169.88 12.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.64 1.576 . . . . 0.0 112.398 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -133.03 143.98 49.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.23 1.012 . . . . 0.0 109.317 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.8 t -141.2 131.64 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.854 1.262 . . . . 0.0 108.004 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -139.24 117.27 11.74 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 34.87 52.72 0.61 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.466 1.906 . . . . 0.0 113.093 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -123.0 164.76 17.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.89 134.35 66.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t -145.17 146.25 31.68 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.306 -0.957 . . . . 0.0 112.803 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.4 m -136.86 128.81 29.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.759 1.223 . . . . 0.0 107.732 169.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.4 t0 46.35 59.2 3.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.491 1.916 . . . . 0.0 112.823 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.34 161.09 28.63 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.61 1.164 . . . . 0.0 108.603 -171.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -128.93 129.61 45.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.77 112.67 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.91 127.51 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.941 0.896 . . . . 0.0 108.958 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 43.54 43.94 4.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.5 1.52 . . . . 0.0 113.269 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -127.24 165.77 19.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.749 0.82 . . . . 0.0 110.256 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -125.7 136.76 53.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.74 130.22 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -168.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -138.95 131.9 29.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.206 1.003 . . . . 0.0 108.629 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt 47.12 25.53 0.53 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.009 1.324 . . . . 0.0 114.093 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.161 0.984 . . . . 0.0 110.778 -169.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 128.5 46.11 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.739 1.216 . . . . 0.0 108.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t -120.36 134.82 55.2 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.999 0.92 . . . . 0.0 109.609 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 m -134.79 121.92 21.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.24 35.3 64.74 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.832 -0.982 . . . . 0.0 113.797 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 m -131.49 174.52 10.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.555 1.177 . . . . 0.0 111.321 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.36 130.63 35.26 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -169.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -121.64 132.49 54.69 Favored 'General case' 0 N--CA 1.46 0.059 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.77 124.93 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 170.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.26 39.54 97.35 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.852 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 161.96 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.843 1.321 . . . . 0.0 111.658 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -124.36 117.07 23.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.053 -2.943 . . . . 0.0 103.053 169.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -132.12 131.22 61.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -172.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -133.26 130.89 39.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.746 0.818 . . . . 0.0 108.915 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m 52.41 32.53 11.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.731 1.213 . . . . 0.0 113.388 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -119.67 174.49 6.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.947 0.899 . . . . 0.0 111.36 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -135.79 140.02 43.95 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -133.37 140.75 47.55 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.0 m -144.92 125.94 14.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.37 47.21 56.88 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-O 119.051 -0.861 . . . . 0.0 112.653 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 t -144.49 166.02 26.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.913 1.857 . . . . 0.0 110.166 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.1 m -129.72 133.35 46.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.8 mm -127.53 136.11 61.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 105.709 -1.959 . . . . 0.0 105.709 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.7 m -138.36 163.59 31.47 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.422 1.089 . . . . 0.0 110.34 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -151.53 -137.02 2.56 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.927 1.727 . . . . 0.0 108.85 -174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.16 166.18 82.3 Favored 'Cis proline' 0 CA--C 1.536 0.596 0 CA-C-N 120.605 2.202 . . . . 0.0 112.454 2.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.59 10.66 63.17 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.066 0.841 . . . . 0.0 112.356 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.59 141.12 44.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.77 0.785 . . . . 0.0 109.354 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.9 m -139.99 127.55 21.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.654 1.582 . . . . 0.0 107.334 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.9 mt -138.25 134.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.411 1.485 . . . . 0.0 107.233 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.5 m -139.02 138.32 37.1 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.771 0.828 . . . . 0.0 109.755 171.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.269 6.1 p 46.93 36.56 4.1 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.621 1.968 . . . . 0.0 114.5 174.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 89.7 m -100.52 162.74 12.73 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.161 0.985 . . . . 0.0 110.937 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.5 m -129.5 131.35 46.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 168.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -135.15 125.56 44.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.7 m -134.74 127.35 30.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 43.95 46.62 6.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.407 1.083 . . . . 0.0 112.136 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.84 81.02 Favored Glycine 0 CA--C 1.529 0.969 0 CA-C-O 118.797 -1.002 . . . . 0.0 113.883 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -123.91 114.69 42.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.53 146.72 38.22 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.9 p -62.56 127.9 90.79 Favored Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 123.856 0.862 . . . . 0.0 109.777 174.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.48 12.18 0.1 Allowed 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 124.145 3.23 . . . . 0.0 116.157 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.67 56.33 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.314 1.046 . . . . 0.0 109.359 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.0 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.164 0.586 . . . . 0.0 112.444 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.46 -27.21 67.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.129 0.572 . . . . 0.0 111.825 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -74.34 130.68 40.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 119.257 0.935 . . . . 0.0 108.942 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.23 130.57 44.78 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -142.51 146.43 22.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 124.401 1.081 . . . . 0.0 108.857 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.8 m -157.69 147.74 20.47 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.497 1.119 . . . . 0.0 109.341 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.27 70.05 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.039 -0.867 . . . . 0.0 114.288 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.8 m -110.2 158.55 18.24 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.723 1.262 . . . . 0.0 111.785 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.9 m -132.9 140.46 47.89 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 104.699 -2.334 . . . . 0.0 104.699 169.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -147.27 163.78 35.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.935 0.789 . . . . 0.0 112.002 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -150.38 161.14 43.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.585 1.554 . . . . 0.0 109.774 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.04 143.74 35.33 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 C--O 1.248 1.002 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 169.153 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.678 0.275 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.48 -179.33 46.75 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p -139.89 159.29 42.52 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.443 1.497 . . . . 0.0 108.359 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -149.78 162.41 40.32 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.33 1.452 . . . . 0.0 109.675 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.44 76.31 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -73.56 112.69 9.89 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -82.07 -56.51 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -163.0 53.05 0.18 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.854 1.662 . . . . 0.0 107.652 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -119.97 166.31 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.711 1.604 . . . . 0.0 111.89 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -126.95 137.85 53.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.984 1.314 . . . . 0.0 108.139 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -135.76 116.4 18.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -69.07 164.34 22.68 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.258 0.552 . . . . 0.0 111.058 -177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.38 59.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -112.12 -1.67 15.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.454 0.702 . . . . 0.0 112.222 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.9 m -73.29 172.78 10.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.366 0.666 . . . . 0.0 110.286 169.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -140.11 147.21 39.89 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -134.83 128.94 33.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -141.4 125.69 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt 34.19 50.79 0.39 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.48 2.312 . . . . 0.0 113.724 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -134.38 171.34 14.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.003 1.321 . . . . 0.0 108.576 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -124.58 136.5 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 107.48 8.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -99.56 75.68 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.19 78.1 0.24 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 125.342 1.457 . . . . 0.0 110.73 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.6 m -123.08 167.48 13.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.683 0.793 . . . . 0.0 109.056 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -132.03 135.46 46.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mt -137.13 107.41 5.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.45 114.07 26.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 126.153 1.781 . . . . 0.0 108.17 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t30 40.59 40.21 0.87 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.084 1.754 . . . . 0.0 113.664 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -125.67 167.74 14.7 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.204 1.001 . . . . 0.0 111.646 -169.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -129.81 115.81 17.81 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 tp -116.45 97.93 6.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -127.33 165.49 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 37.5 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 128.227 2.611 . . . . 0.0 114.638 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m 51.22 30.55 5.88 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.498 1.519 . . . . 0.0 113.195 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -74.24 144.97 44.45 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.9 120.17 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.06 -2.57 . . . . 0.0 104.06 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -128.03 155.05 44.94 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -144.78 132.46 21.07 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 50.81 25.31 2.08 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.772 1.629 . . . . 0.0 113.807 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -111.22 162.48 14.92 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.151 -0.968 . . . . 0.0 112.846 -169.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.99 137.81 54.24 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.832 1.653 . . . . 0.0 107.739 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.26 127.55 33.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 m -134.35 120.42 19.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 43.57 41.39 3.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.594 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.14 164.08 18.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.082 1.353 . . . . 0.0 112.164 -169.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -125.05 141.51 52.08 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.516 1.126 . . . . 0.0 108.421 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.56 133.36 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -139.4 135.88 34.13 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.508 1.123 . . . . 0.0 108.272 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 39.02 36.8 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.54 1.936 . . . . 0.0 115.026 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 p -68.13 162.69 24.19 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.944 -1.098 . . . . 0.0 111.843 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.41 84.06 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 102.436 -3.172 . . . . 0.0 102.436 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.269 1.3 m -118.47 138.2 52.65 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 123.61 0.764 . . . . 0.0 109.805 -167.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -136.65 126.24 25.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.1 t70 49.56 50.05 18.89 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.446 1.898 . . . . 0.0 113.285 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.83 163.6 15.93 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 121.576 -0.702 . . . . 0.0 111.566 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -131.28 106.3 8.21 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -120.12 118.27 56.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -168.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -126.93 132.42 50.87 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.745 0.818 . . . . 0.0 109.572 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt 48.03 31.08 2.28 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.933 1.693 . . . . 0.0 113.685 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -116.37 168.63 9.97 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.428 0.691 . . . . 0.0 111.659 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.58 126.44 40.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.45 129.64 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -169.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.52 123.7 21.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.44 31.32 2.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.218 1.807 . . . . 0.0 113.343 174.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -109.72 152.31 25.8 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.403 1.081 . . . . 0.0 110.073 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.9 m -110.73 136.49 49.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.317 1.447 . . . . 0.0 107.907 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 33.2 t -136.57 133.25 36.19 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 m -137.65 115.57 11.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.38 38.71 63.06 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.779 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -130.99 169.75 15.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.241 1.021 . . . . 0.0 111.623 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.59 140.14 51.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -119.9 140.36 50.99 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 170.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -138.83 117.38 12.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 170.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 44.15 98.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.678 -1.068 . . . . 0.0 113.253 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.93 163.58 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 118.904 1.352 . . . . 0.0 111.089 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -129.37 113.57 15.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.843 -2.651 . . . . 0.0 103.843 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -133.25 134.93 57.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.634 0.652 . . . . 0.0 109.892 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -132.77 134.57 44.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.214 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 49.22 33.42 5.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.895 1.278 . . . . 0.0 113.775 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -116.93 175.49 5.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.734 0.814 . . . . 0.0 111.587 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -134.19 141.55 47.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.535 1.134 . . . . 0.0 108.405 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -139.0 143.21 38.38 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.037 1.335 . . . . 0.0 107.61 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.3 m -153.16 120.06 5.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.228 1.011 . . . . 0.0 109.047 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.49 41.43 88.54 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.654 0.645 . . . . 0.0 111.595 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.421 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -122.12 162.67 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.958 1.303 . . . . 0.0 111.906 -169.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 m -136.61 123.53 21.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 168.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -122.81 127.23 74.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.5 m -138.85 166.85 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.7 0.8 . . . . 0.0 109.9 -173.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.02 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.42 169.5 69.13 Favored 'Cis proline' 0 CA--C 1.54 0.787 0 CA-C-N 119.828 1.814 . . . . 0.0 110.819 -10.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.38 21.86 68.92 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.54 144.39 53.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -137.34 126.12 23.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.49 1.516 . . . . 0.0 107.257 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.0 mt -137.82 136.02 45.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -136.38 143.53 44.08 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p 43.82 43.14 4.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.471 1.908 . . . . 0.0 113.794 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.5 t -117.49 165.52 13.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.148 0.979 . . . . 0.0 110.393 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.2 m -129.24 131.21 47.0 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.1 mt -133.94 142.66 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.0 m -147.89 136.45 21.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 37.5 50.06 1.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.756 1.623 . . . . 0.0 113.419 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 78.78 6.03 88.51 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.315 -1.269 . . . . 0.0 114.546 173.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.88 122.99 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.565 1.682 . . . . 0.0 107.573 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.18 140.39 48.73 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -78.67 129.54 73.7 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.95 110.97 0.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.913 2.409 . . . . 0.0 110.672 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -157.98 136.91 11.47 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 173.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.31 68.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.785 0.434 . . . . 0.0 112.022 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.91 -26.73 64.29 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.723 -0.656 . . . . 0.0 112.174 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.81 128.73 36.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.952 0.797 . . . . 0.0 108.904 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -132.97 135.12 45.31 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 tt -145.18 147.7 18.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 124.561 1.144 . . . . 0.0 109.099 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.2 m -158.61 146.88 18.38 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.751 1.221 . . . . 0.0 109.464 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.53 72.19 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.156 -0.802 . . . . 0.0 114.076 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.08 160.48 18.12 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.519 1.16 . . . . 0.0 112.035 -171.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 m -130.52 142.12 50.48 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.848 2.059 . . . . 0.0 105.797 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.5 mt -128.74 139.17 52.34 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.7 m -143.13 153.38 42.83 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.589 1.156 . . . . 0.0 108.803 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.08 143.74 43.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.868 -1.063 . . . . 0.0 108.583 171.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.79 174.99 42.81 Favored Glycine 0 CA--C 1.525 0.67 0 O-C-N 121.779 -0.576 . . . . 0.0 113.527 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -138.5 6.9 2.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.51 1.924 . . . . 0.0 111.016 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.05 154.55 12.5 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.81 78.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 168.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.86 98.42 2.98 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -66.42 -55.5 15.47 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -170.25 81.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.031 1.732 . . . . 0.0 107.937 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -145.36 168.59 20.13 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.371 1.468 . . . . 0.0 110.234 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -121.42 134.41 55.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.043 1.337 . . . . 0.0 108.2 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mt -130.74 119.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -69.96 164.89 22.9 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.293 0.568 . . . . 0.0 111.367 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -26.98 58.36 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.968 1.307 . . . . 0.0 114.304 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -113.8 1.18 14.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.59 0.756 . . . . 0.0 112.207 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -74.37 174.8 8.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.089 0.556 . . . . 0.0 109.787 169.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -142.51 144.02 32.79 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.2 t -138.95 106.66 5.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.01 131.63 71.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 118.899 0.772 . . . . 0.0 109.347 -169.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt 36.04 43.37 0.2 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.477 2.311 . . . . 0.0 114.262 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 m -135.31 173.76 11.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.399 1.48 . . . . 0.0 108.33 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 m -113.1 144.37 42.75 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.73 117.78 10.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.658 0.663 . . . . 0.0 109.864 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.1 m -128.61 121.91 29.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 110.197 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.88 54.87 9.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.375 1.87 . . . . 0.0 111.153 -175.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.3 m -126.76 163.03 24.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.317 0.579 . . . . 0.0 111.745 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -137.7 118.34 13.98 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.37 105.75 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -170.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.77 116.86 31.4 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 126.125 1.77 . . . . 0.0 108.467 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.82 35.6 0.23 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.309 1.844 . . . . 0.0 114.299 -171.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 m -119.72 161.21 21.11 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.293 1.037 . . . . 0.0 111.697 -169.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -126.61 100.29 6.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.469 1.107 . . . . 0.0 108.368 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.54 121.85 37.66 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.12 160.7 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 118.883 0.765 . . . . 0.0 112.387 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.43 77.82 0.1 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 127.75 2.42 . . . . 0.0 114.556 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.57 36.96 18.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.895 1.678 . . . . 0.0 113.742 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -79.06 171.36 15.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 tt -141.19 131.81 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.3 t -107.31 131.01 54.69 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.49 120.06 16.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 52.28 31.22 8.99 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.792 1.237 . . . . 0.0 112.527 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -120.81 166.21 14.08 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.796 0.807 . . . . 0.0 112.048 -169.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -126.7 132.07 51.23 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.911 1.285 . . . . 0.0 108.377 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -122.41 134.71 54.61 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 m -139.27 117.6 11.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 108.191 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.13 41.32 2.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.75 2.02 . . . . 0.0 113.248 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 168.26 14.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.045 1.338 . . . . 0.0 111.828 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -132.47 139.06 47.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.49 0.716 . . . . 0.0 109.8 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -135.96 126.59 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -135.63 124.23 23.66 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -169.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 34.92 48.52 0.33 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.716 2.007 . . . . 0.0 113.141 -172.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -125.57 158.86 33.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.9 t -117.63 133.01 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 -170.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 147.42 52.15 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.215 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -145.73 114.1 6.68 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.15 71.9 0.4 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.231 1.413 . . . . 0.0 111.769 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.26 154.87 44.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 109.035 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -135.78 112.39 10.05 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.2 mt -121.18 110.92 29.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -169.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -117.97 127.9 54.28 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 50.16 35.78 10.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.688 1.595 . . . . 0.0 113.342 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -123.63 164.95 18.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.627 0.771 . . . . 0.0 111.129 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -126.55 133.13 51.18 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.82 129.63 51.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 108.529 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -135.46 131.61 36.37 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.297 0.639 . . . . 0.0 109.624 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp 45.59 37.28 3.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.384 1.474 . . . . 0.0 112.85 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -118.82 159.73 23.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.45 1.1 . . . . 0.0 110.466 -169.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -126.47 106.65 9.61 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.708 1.203 . . . . 0.0 108.467 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.7 123.06 40.28 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.19 0.996 . . . . 0.0 108.808 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 m -132.63 116.17 16.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.03 42.31 39.11 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 m -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.529 1.132 . . . . 0.0 109.274 -169.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -138.37 145.33 40.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -128.17 124.28 36.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -136.51 99.37 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.24 47.27 65.0 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 118.815 -0.992 . . . . 0.0 112.246 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.09 166.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.684 1.242 . . . . 0.0 111.804 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -123.8 127.19 47.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.7 tt -141.39 133.68 29.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 118.617 0.644 . . . . 0.0 109.55 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -134.33 148.25 50.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m 52.62 29.94 7.96 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.114 1.366 . . . . 0.0 113.316 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -122.16 172.83 7.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.896 0.771 . . . . 0.0 112.653 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -137.05 138.04 40.01 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.8 p -137.3 129.85 29.94 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -135.44 112.59 10.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.517 1.127 . . . . 0.0 108.714 -171.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.97 95.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.5 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.7 OUTLIER -139.55 105.98 5.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.28 1.04 . . . . 0.0 112.775 -168.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -82.53 133.02 35.19 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -136.72 135.24 48.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.5 m -133.6 166.33 22.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.432 1.493 . . . . 0.0 110.535 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.95 -147.47 0.03 OUTLIER Glycine 0 CA--C 1.541 1.691 0 C-N-CA 127.613 2.53 . . . . 0.0 113.989 173.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.3 -13.34 31.58 Favored 'Cis proline' 0 CA--C 1.538 0.682 0 CA-C-N 119.63 1.715 . . . . 0.0 115.102 10.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.25 42.64 0.93 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 47.6 t -71.15 132.96 45.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.641 0.776 . . . . 0.0 111.294 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -137.59 125.89 23.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.915 2.086 . . . . 0.0 105.872 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.25 139.51 49.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 m -146.47 142.61 28.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.687 -0.633 . . . . 0.0 110.601 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 p 47.28 38.09 6.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.85 1.66 . . . . 0.0 113.512 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.4 t -119.42 158.79 25.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.128 0.971 . . . . 0.0 110.451 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -123.95 135.87 53.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -137.49 133.24 45.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -175.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.3 m -134.67 129.57 35.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 45.16 39.75 4.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.548 1.539 . . . . 0.0 114.02 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.5 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 85.63 9.17 79.05 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.592 -1.115 . . . . 0.0 114.066 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.18 118.81 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.245 1.522 . . . . 0.0 107.442 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.67 152.62 33.68 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.588 0.755 . . . . 0.0 110.201 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 p -64.22 148.37 95.82 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.216 0.606 . . . . 0.0 110.146 170.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -81.23 8.85 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.492 2.795 . . . . 0.0 113.814 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 137.94 55.93 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.209 1.004 . . . . 0.0 109.195 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.67 -18.08 61.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.245 0.618 . . . . 0.0 112.361 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.87 -26.38 65.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.785 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.07 132.95 48.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.937 0.79 . . . . 0.0 109.291 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -131.82 133.97 45.27 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 169.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.59 131.28 24.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -146.47 139.43 25.5 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.429 1.091 . . . . 0.0 108.334 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.66 17.06 64.28 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 118.837 -0.98 . . . . 0.0 114.857 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.2 m -101.25 162.76 12.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.58 1.19 . . . . 0.0 112.209 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -133.49 143.23 48.67 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.73 152.94 49.53 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 m -135.23 12.79 3.55 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.917 0.887 . . . . 0.0 112.145 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.89 -144.64 0.42 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.102 1.361 . . . . 0.0 111.05 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 C--O 1.249 1.039 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 171.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.11 175.59 47.45 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -157.07 -178.97 7.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.956 1.302 . . . . 0.0 107.878 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.5 m -135.19 172.61 12.77 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.62 1.568 . . . . 0.0 109.41 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.65 52.24 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 169.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -69.32 113.17 6.4 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.9 m -85.04 -48.76 8.9 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.428 0.691 . . . . 0.0 109.833 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -162.31 28.2 0.11 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.647 0.779 . . . . 0.0 111.86 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -100.28 166.45 10.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.862 1.265 . . . . 0.0 111.096 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -113.46 120.9 42.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.885 0.874 . . . . 0.0 108.856 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mm -118.29 117.73 55.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.257 -2.497 . . . . 0.0 104.257 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -69.75 168.76 14.33 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.44 0.638 . . . . 0.0 112.078 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.99 65.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.459 1.104 . . . . 0.0 113.746 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -111.74 26.7 10.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.05 0.94 . . . . 0.0 111.142 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -121.99 160.15 25.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.358 1.463 . . . . 0.0 109.398 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -143.93 153.2 42.04 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.769 0.828 . . . . 0.0 109.335 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 p -133.03 24.88 4.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.437 1.895 . . . . 0.0 111.321 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.07 129.35 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.64 1.176 . . . . 0.0 111.866 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt 55.15 6.56 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.137 2.175 . . . . 0.0 114.093 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -112.43 154.08 26.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.543 1.065 . . . . 0.0 111.865 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -94.6 140.49 29.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.92 116.95 17.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.23 91.96 3.83 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -170.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 45.37 56.29 5.78 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.126 2.17 . . . . 0.0 113.737 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.32 172.35 6.85 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.913 1.285 . . . . 0.0 109.927 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.38 120.32 25.34 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 169.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.5 mt -120.33 106.47 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -173.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.9 114.23 27.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.888 1.675 . . . . 0.0 108.84 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t30 42.64 37.67 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.798 1.639 . . . . 0.0 112.759 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -127.29 160.68 30.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.424 1.09 . . . . 0.0 111.169 -169.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -125.47 136.46 53.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -132.56 109.05 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.4 164.12 24.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -169.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t0 53.31 65.27 1.56 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 126.898 2.079 . . . . 0.0 112.441 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.265 1.3 m 48.44 46.27 20.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.265 1.579 . . . . 0.0 115.265 -175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 m -76.48 162.82 27.51 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 166.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.4 100.45 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.7 t -86.01 140.63 30.12 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.95 117.39 13.72 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 173.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 42.36 35.38 0.62 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.586 2.354 . . . . 0.0 114.649 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.6 m -109.16 164.5 12.38 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.887 0.875 . . . . 0.0 110.589 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -111.89 123.81 51.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.658 1.583 . . . . 0.0 106.913 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -114.92 136.07 53.52 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -141.6 116.99 10.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 44.65 40.07 3.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.674 1.99 . . . . 0.0 113.846 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.49 10.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.232 1.413 . . . . 0.0 112.363 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -133.83 140.15 46.71 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.988 0.915 . . . . 0.0 109.826 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 124.6 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.883 1.673 . . . . 0.0 106.616 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.32 126.02 27.18 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.416 0.686 . . . . 0.0 109.428 -172.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 33.41 50.11 0.26 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.376 1.871 . . . . 0.0 112.634 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.21 158.36 39.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.8 t -116.74 140.18 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 p -131.07 145.3 51.96 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 m -136.89 116.69 13.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.91 50.91 17.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.389 1.476 . . . . 0.0 112.456 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.0 m -110.18 164.56 12.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.327 0.651 . . . . 0.0 110.213 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -130.81 112.47 13.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.77 109.38 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 -169.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -120.86 125.81 48.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -169.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 50.47 26.98 2.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.922 1.289 . . . . 0.0 113.806 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -116.16 166.88 11.52 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.744 0.817 . . . . 0.0 111.167 -169.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -130.04 131.42 45.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.19 129.67 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -169.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.68 135.75 35.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.267 0.627 . . . . 0.0 109.983 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt 47.12 28.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.386 1.074 . . . . 0.0 113.881 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -114.06 159.83 19.57 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.903 -1.123 . . . . 0.0 111.316 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -123.47 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.2 t -82.9 129.73 35.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 119.94 18.3 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.83 47.13 13.97 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.91 -0.939 . . . . 0.0 112.636 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -132.48 159.03 40.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.475 1.137 . . . . 0.0 110.522 -169.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -117.88 122.78 44.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -113.65 128.28 56.37 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -137.1 110.01 7.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.829 1.195 . . . . 0.0 109.562 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.43 38.95 97.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 118.603 -1.109 . . . . 0.0 113.031 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pp -123.59 166.68 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.21 1.505 . . . . 0.0 111.33 -174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -126.74 129.15 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.7 tt -140.74 133.85 32.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -136.21 140.32 43.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.76 0.424 . . . . 0.0 110.958 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 52.23 33.44 12.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.611 1.564 . . . . 0.0 113.442 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -122.88 175.53 6.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.913 0.885 . . . . 0.0 112.112 -169.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -136.84 143.23 42.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.5 p -133.88 153.73 51.55 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.0 m -156.63 109.75 2.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.137 -0.977 . . . . 0.0 109.263 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 49.74 60.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.468 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -138.05 129.15 27.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.415 0.608 . . . . 0.0 111.578 -168.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -95.9 134.44 38.9 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -139.37 121.15 16.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p -145.38 172.16 13.57 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.902 0.881 . . . . 0.0 110.569 -173.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.52 -75.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 170.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.14 171.21 63.9 Favored 'Cis proline' 0 CA--C 1.539 0.764 0 CA-C-N 119.693 1.746 . . . . 0.0 110.897 -10.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.3 14.81 70.55 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.88 0.753 . . . . 0.0 111.816 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.46 148.65 51.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.68 0.792 . . . . 0.0 109.771 173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.4 m -134.78 131.85 38.01 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.674 1.589 . . . . 0.0 107.088 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 79.4 mt -134.5 132.46 54.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 m -134.81 132.22 38.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.091 0.956 . . . . 0.0 108.858 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.254 2.8 p 48.88 36.92 9.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.173 1.389 . . . . 0.0 114.063 170.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.22 162.28 13.04 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.393 1.077 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 91.2 m -127.34 128.17 45.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 168.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.6 mt -133.94 136.94 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -150.46 134.87 17.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 42.63 46.71 4.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 112.455 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.468 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.96 4.21 88.7 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.075 -1.403 . . . . 0.0 114.649 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.2 t -126.58 127.93 70.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 119.969 1.885 . . . . 0.0 108.38 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.51 22.15 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.791 0.836 . . . . 0.0 109.853 173.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 p -63.31 147.34 95.13 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.3 0.64 . . . . 0.0 110.702 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -83.13 7.74 5.03 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.609 2.872 . . . . 0.0 113.415 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.77 142.25 57.44 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.316 1.046 . . . . 0.0 109.678 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.21 59.18 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.41 0.684 . . . . 0.0 112.513 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.38 79.26 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.726 -0.609 . . . . 0.0 110.873 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.3 126.09 30.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.417 0.553 . . . . 0.0 109.758 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -125.22 136.8 53.92 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 tt -141.46 149.58 20.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.706 1.202 . . . . 0.0 108.363 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -155.12 152.34 29.37 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.194 0.998 . . . . 0.0 109.68 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.0 35.66 54.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.37 1.462 . . . . 0.0 113.382 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.34 161.32 24.92 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.171 0.986 . . . . 0.0 113.108 -169.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 m -131.26 140.63 49.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.923 2.089 . . . . 0.0 106.334 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.08 142.71 50.81 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m -141.39 150.96 43.05 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.794 0.838 . . . . 0.0 108.957 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.78 168.94 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.601 0.715 . . . . 0.0 111.046 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 51.8 mtt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.264 1.826 . . . . 0.0 106.197 169.719 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.24 28.41 54.52 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.506 1.051 . . . . 0.0 114.085 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 53.06 20.55 1.77 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.011 1.324 . . . . 0.0 113.421 -172.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.77 154.18 37.66 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.873 -1.142 . . . . 0.0 108.893 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.91 137.29 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -135.96 138.98 42.86 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.064 0.545 . . . . 0.0 110.258 -174.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.3 m -127.98 94.69 3.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 55.17 17.15 1.87 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.211 2.204 . . . . 0.0 116.456 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -75.63 157.85 33.19 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.493 -1.379 . . . . 0.0 110.632 171.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.0 138.17 31.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 169.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -135.76 109.75 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.24 167.64 17.51 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.891 0.377 . . . . 0.0 110.931 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -27.69 51.14 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -170.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -115.01 -1.85 12.97 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.6 0.76 . . . . 0.0 112.151 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -73.96 160.36 31.46 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -147.17 141.68 26.5 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -172.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.98 145.25 39.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.16 122.51 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 58.74 -20.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.613 2.765 . . . . 0.0 115.594 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -60.09 162.85 5.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.922 1.689 . . . . 0.0 113.362 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 126.46 44.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.61 128.18 50.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -121.86 105.13 10.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.267 0.627 . . . . 0.0 109.672 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.72 44.38 5.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.009 2.124 . . . . 0.0 112.426 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.8 m -90.07 170.84 9.99 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.791 0.836 . . . . 0.0 108.792 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.32 109.38 9.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mt -114.03 121.41 66.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 -173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 112.69 17.67 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.594 1.558 . . . . 0.0 108.33 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 t30 42.02 35.39 0.55 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.207 1.803 . . . . 0.0 113.675 -171.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.4 m -122.15 162.23 21.69 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.127 0.971 . . . . 0.0 111.28 -169.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -125.12 133.04 53.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -134.4 87.35 2.35 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.89 175.45 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 55.84 47.87 19.32 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 127.305 2.242 . . . . 0.0 112.263 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 62.57 44.21 7.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.153 1.381 . . . . 0.0 113.39 -178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.22 158.18 34.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -137.79 128.01 36.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.0 p -128.52 154.93 45.63 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.119 0.485 . . . . 0.0 110.615 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -150.14 122.42 8.39 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 46.48 38.0 4.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.606 1.963 . . . . 0.0 114.724 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -110.47 165.67 11.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.874 0.869 . . . . 0.0 111.537 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -122.74 140.32 53.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.19 1.796 . . . . 0.0 108.609 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -139.76 131.24 27.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 106.733 -1.581 . . . . 0.0 106.733 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 m -140.54 113.5 8.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -172.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.8 t70 43.24 43.3 3.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.174 2.19 . . . . 0.0 113.654 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.26 163.59 24.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 111.132 -170.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -130.44 139.87 50.57 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 121.407 -0.808 . . . . 0.0 109.917 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.75 130.81 42.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 125.538 1.535 . . . . 0.0 106.874 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -136.68 126.73 26.06 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? 34.74 52.27 0.56 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.699 2.0 . . . . 0.0 112.686 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.5 m -126.19 146.58 49.91 Favored 'General case' 0 CA--C 1.523 -0.093 0 O-C-N 121.26 -0.9 . . . . 0.0 109.405 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -94.07 134.06 32.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -153.51 97.8 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.351 -0.843 . . . . 0.0 109.463 -169.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.4 m -118.35 135.63 54.21 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -172.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.11 35.61 5.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.852 1.661 . . . . 0.0 111.894 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.83 161.51 14.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -138.84 112.09 8.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 171.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.2 mt -121.78 117.25 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -169.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -118.94 130.33 55.65 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 41.55 43.77 2.38 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.951 1.701 . . . . 0.0 113.758 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.4 m -126.53 168.64 13.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.755 0.822 . . . . 0.0 110.294 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -128.25 141.39 51.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.39 132.99 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.745 1.218 . . . . 0.0 107.749 -169.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -141.71 135.16 29.55 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.449 0.699 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt 49.51 24.73 1.19 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.176 1.39 . . . . 0.0 114.171 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -104.79 164.57 11.68 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.158 -0.964 . . . . 0.0 111.025 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.0 m -128.6 95.14 4.04 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.626 1.571 . . . . 0.0 107.972 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.71 131.85 34.33 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 m -137.19 97.97 3.62 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 39.65 96.22 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.374 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -126.36 167.53 15.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.183 0.991 . . . . 0.0 110.672 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -128.11 135.63 50.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.418 1.087 . . . . 0.0 108.209 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -120.58 141.91 49.86 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -143.49 121.01 11.73 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.88 44.31 98.25 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.228 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.03 166.96 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 119.013 1.407 . . . . 0.0 111.607 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.23 125.99 41.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -138.15 134.69 44.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 119.138 0.881 . . . . 0.0 110.058 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -135.48 131.78 36.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 123.568 0.747 . . . . 0.0 109.382 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 50.57 35.01 10.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.309 1.044 . . . . 0.0 113.178 169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.2 m -123.2 175.23 6.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.831 0.853 . . . . 0.0 111.854 -169.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m -135.38 139.4 44.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.7 p -137.74 127.4 25.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -136.91 106.08 6.01 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.96 54.07 30.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.47 HG21 ' H ' ' A' ' 103' ' ' GLY . 11.0 p -136.16 160.83 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.254 1.021 . . . . 0.0 110.702 -174.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -131.13 121.32 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 mt -133.33 113.2 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -169.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.6 m -134.36 6.08 3.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -169.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 32.61 -104.51 0.01 OUTLIER Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.576 2.036 . . . . 0.0 113.105 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.12 169.8 73.28 Favored 'Cis proline' 0 CA--C 1.538 0.681 0 CA-C-N 120.213 2.007 . . . . 0.0 111.077 -4.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.51 21.11 73.26 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.17 139.89 48.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.084 0.954 . . . . 0.0 108.51 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.1 m -135.86 115.68 13.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.33 135.18 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 m -141.52 143.85 34.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 p 44.89 43.76 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.991 1.716 . . . . 0.0 113.79 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.9 t -126.42 161.69 27.31 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.249 1.02 . . . . 0.0 110.536 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.1 m -126.04 135.73 52.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.46 125.35 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.5 m -135.81 125.68 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 40.86 48.03 2.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.445 . . . . 0.0 112.504 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.47 ' H ' HG21 ' A' ' 86' ' ' THR . . . 82.64 5.09 89.78 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.53 -1.15 . . . . 0.0 114.256 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.03 114.55 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 119.488 1.644 . . . . 0.0 107.257 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.38 149.8 31.56 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.415 0.686 . . . . 0.0 109.654 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -62.87 136.09 96.33 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.364 0.666 . . . . 0.0 109.856 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -81.65 8.46 4.42 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.432 2.755 . . . . 0.0 113.763 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.02 144.57 56.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.302 1.041 . . . . 0.0 109.689 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.94 -20.22 63.57 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.206 0.602 . . . . 0.0 112.447 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.47 -27.57 68.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.106 0.562 . . . . 0.0 111.825 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.17 129.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.211 0.914 . . . . 0.0 109.964 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -122.35 137.74 54.75 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 168.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.9 tt -146.32 35.08 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.743 1.217 . . . . 0.0 109.786 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.8 m -59.27 134.74 57.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.445 1.498 . . . . 0.0 111.773 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.1 12.42 54.97 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.441 1.02 . . . . 0.0 114.436 172.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 84.1 m -82.72 160.68 22.31 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.708 1.254 . . . . 0.0 112.781 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.9 m -144.97 114.8 7.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 161.84 41.92 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.141 0.576 . . . . 0.0 111.676 -169.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.0 m -149.89 165.17 33.39 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.124 1.77 . . . . 0.0 109.255 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 150.84 41.65 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.959 0.504 . . . . 0.0 110.21 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 C--O 1.253 1.237 0 N-CA-C 106.949 -1.501 . . . . 0.0 106.949 168.703 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.28 179.05 48.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.5 m -153.47 80.31 1.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.58 157.63 44.13 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.92 1.288 . . . . 0.0 109.928 -169.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.57 75.31 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -77.05 99.15 5.22 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -66.88 -54.6 20.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.789 0.836 . . . . 0.0 110.172 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -164.86 30.7 0.06 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.269 1.028 . . . . 0.0 112.038 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -100.48 167.18 10.53 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.472 1.509 . . . . 0.0 111.556 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -104.16 134.22 47.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.18 115.72 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 p -68.99 166.34 18.2 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 111.211 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.63 39.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 114.214 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.37 7.14 13.81 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.475 0.71 . . . . 0.0 112.41 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.4 m -85.24 167.21 15.86 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.358 1.063 . . . . 0.0 108.717 169.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -145.81 149.67 34.76 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 p -133.63 139.01 46.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.3 t -145.03 130.32 13.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -169.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? 41.69 34.78 0.43 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.327 2.251 . . . . 0.0 113.516 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -137.75 170.82 15.4 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.92 1.688 . . . . 0.0 109.017 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -117.36 142.96 46.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.176 0.991 . . . . 0.0 108.846 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 118.57 11.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -120.89 111.52 17.64 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.629 0.772 . . . . 0.0 109.415 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 41.67 47.0 3.34 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 128.26 2.624 . . . . 0.0 114.445 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m -96.1 172.17 8.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.848 0.859 . . . . 0.0 110.342 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -127.4 123.6 36.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.0 mt -128.16 107.64 16.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -169.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.36 117.33 32.16 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.864 1.665 . . . . 0.0 108.496 -173.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 40.82 34.05 0.24 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.352 1.861 . . . . 0.0 114.202 -172.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -118.97 152.53 36.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 122.33 1.062 . . . . 0.0 112.278 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -117.36 124.71 49.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.219 1.408 . . . . 0.0 107.765 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -127.03 103.01 7.23 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.54 167.46 26.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -168.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.89 68.2 0.9 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.25 1.82 . . . . 0.0 114.137 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 54.53 39.1 30.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.37 1.468 . . . . 0.0 113.741 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -81.8 170.44 15.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.82 140.22 30.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 O-C-N 122.004 -0.435 . . . . 0.0 110.271 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.7 t -120.07 136.96 54.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.95 113.08 7.51 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 42.16 56.79 3.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.541 1.936 . . . . 0.0 112.259 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -136.92 171.46 14.48 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.331 1.052 . . . . 0.0 111.437 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -123.01 132.47 54.15 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.467 1.507 . . . . 0.0 108.165 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -124.79 135.73 53.21 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -140.72 115.26 9.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 43.86 44.92 6.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.202 2.201 . . . . 0.0 113.343 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 171.4 9.1 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.909 1.284 . . . . 0.0 111.951 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -137.22 140.41 41.68 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.734 0.814 . . . . 0.0 109.494 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.4 128.63 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 124.797 1.239 . . . . 0.0 107.671 -171.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -134.71 130.45 36.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 108.982 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 32.42 48.98 0.13 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.166 2.187 . . . . 0.0 113.425 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -125.14 156.62 38.07 Favored 'General case' 0 CA--C 1.521 -0.145 0 O-C-N 121.576 -0.702 . . . . 0.0 109.34 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.15 125.9 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 -169.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.1 132.16 41.39 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -175.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.4 m -137.13 124.57 22.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 44.65 64.56 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.173 1.389 . . . . 0.0 112.294 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.6 t -116.02 157.89 23.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.52 1.128 . . . . 0.0 108.769 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -137.32 109.55 7.3 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.0 mt -119.32 118.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -169.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.34 128.36 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 45.71 39.98 5.74 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.644 1.577 . . . . 0.0 113.517 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -125.57 163.49 22.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.773 0.829 . . . . 0.0 110.768 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.43 141.54 51.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.18 131.15 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -169.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.33 131.35 29.89 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.61 26.58 1.82 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.859 1.663 . . . . 0.0 113.546 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -110.0 163.5 13.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.643 1.177 . . . . 0.0 111.226 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.2 m -124.75 125.66 44.41 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.65 1.18 . . . . 0.0 108.697 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -118.07 125.06 49.56 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.052 1.341 . . . . 0.0 107.799 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 113.52 10.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.56 42.55 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.278 -0.735 . . . . 0.0 111.691 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -138.18 174.87 10.09 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.888 0.844 . . . . 0.0 112.29 -169.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -139.72 147.39 40.83 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.261 -0.899 . . . . 0.0 110.273 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -128.3 138.99 52.65 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 116.66 11.35 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.203 1.001 . . . . 0.0 108.416 172.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.8 44.0 98.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 118.596 -1.113 . . . . 0.0 113.345 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 164.56 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.16 1.48 . . . . 0.0 111.414 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -127.79 115.92 19.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.42 132.84 62.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -171.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -133.01 132.31 41.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.9 0.88 . . . . 0.0 109.112 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m 51.58 31.85 8.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.06 1.344 . . . . 0.0 113.742 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -117.0 173.97 6.36 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.793 0.837 . . . . 0.0 111.924 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.8 m -134.64 140.22 45.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.592 1.157 . . . . 0.0 107.978 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.04 118.9 9.27 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 m -136.79 115.78 12.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.119 0.967 . . . . 0.0 108.748 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.89 46.44 94.12 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 p -135.49 155.82 49.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.219 1.01 . . . . 0.0 111.479 -169.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.1 m -131.47 130.81 42.91 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 169.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -125.26 130.2 73.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -138.65 166.67 23.76 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.955 0.902 . . . . 0.0 109.565 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -144.59 -85.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -71.98 170.03 68.3 Favored 'Cis proline' 0 CA--C 1.54 0.822 0 CA-C-N 119.979 1.889 . . . . 0.0 111.137 -10.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.06 14.65 80.3 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.839 0.733 . . . . 0.0 111.614 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.32 141.54 58.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.073 0.949 . . . . 0.0 108.938 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -135.83 125.42 25.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.5 mt -138.18 134.76 44.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -174.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.4 m -138.14 138.84 39.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.096 0.959 . . . . 0.0 109.512 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.261 7.2 p 48.33 30.62 2.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.803 2.041 . . . . 0.0 114.731 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.2 m -89.87 159.87 16.75 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.298 -0.876 . . . . 0.0 110.973 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.4 m -130.03 124.62 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 mt -134.18 130.54 54.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -170.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -140.88 132.02 26.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -170.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 46.29 41.34 8.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.302 . . . . 0.0 112.276 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 81.94 9.78 84.89 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.248 -1.307 . . . . 0.0 114.873 175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.28 126.16 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.691 1.745 . . . . 0.0 107.917 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.99 142.77 45.79 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -66.81 134.63 94.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.55 77.71 2.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.763 2.975 . . . . 0.0 110.084 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.51 137.13 38.33 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.963 1.305 . . . . 0.0 108.734 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -21.56 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.498 0.719 . . . . 0.0 112.584 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -27.97 69.63 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.974 0.509 . . . . 0.0 111.801 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.6 t -74.29 123.57 24.82 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.092 0.86 . . . . 0.0 109.13 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 130.3 53.82 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 169.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 tt -142.94 145.65 22.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.482 1.113 . . . . 0.0 108.826 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.7 m -157.63 145.33 18.69 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.42 1.088 . . . . 0.0 109.462 173.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.14 24.6 73.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.009 -0.884 . . . . 0.0 113.785 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.07 160.05 20.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.562 1.181 . . . . 0.0 112.101 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.8 m -130.61 145.17 51.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.741 2.016 . . . . 0.0 106.401 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.99 142.02 51.06 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.367 1.067 . . . . 0.0 108.657 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.2 m -143.06 157.28 44.68 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.252 1.421 . . . . 0.0 108.425 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.79 158.81 25.32 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.709 0.403 . . . . 0.0 110.053 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 124.135 0.974 . . . . 0.0 108.625 169.197 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 119.492 -0.29 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.38 -172.84 18.21 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.445 0.545 . . . . 0.0 112.437 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -136.92 126.5 25.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.609 1.564 . . . . 0.0 107.318 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -157.0 168.36 27.72 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 108.884 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 132.98 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -135.01 134.87 40.9 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 95.78 4.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.944 1.698 . . . . 0.0 106.542 170.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 56.19 14.4 1.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.049 2.139 . . . . 0.0 116.173 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 m -75.14 165.77 24.7 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.583 -1.323 . . . . 0.0 109.991 169.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -120.56 136.69 54.72 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.06 118.74 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -65.2 165.59 11.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.611 0.72 . . . . 0.0 111.453 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.92 63.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.905 0.882 . . . . 0.0 112.798 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -100.77 14.16 32.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 111.662 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -115.02 167.71 10.56 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 125.315 1.446 . . . . 0.0 109.935 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -132.47 138.26 47.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.748 0.819 . . . . 0.0 108.903 -172.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.6 t -139.2 107.65 5.84 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.78 126.4 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 56.29 -4.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.733 2.413 . . . . 0.0 115.616 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -90.73 178.29 6.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.964 1.306 . . . . 0.0 111.277 -169.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 m -125.1 134.33 52.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 172.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.98 126.26 37.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -120.2 111.72 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 44.38 37.45 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.639 2.375 . . . . 0.0 113.611 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.82 170.04 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.659 0.783 . . . . 0.0 109.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -133.66 128.26 34.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.8 mt -136.73 116.66 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.34 127.61 45.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.769 1.228 . . . . 0.0 109.659 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 38.84 38.35 0.27 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.06 2.144 . . . . 0.0 112.786 -169.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.2 m -128.78 167.95 16.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.8 0.84 . . . . 0.0 112.285 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -128.68 131.44 47.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.61 106.25 9.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.78 162.4 36.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 46.01 74.31 0.15 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.832 2.453 . . . . 0.0 112.856 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 48.18 42.65 17.75 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.6 m -74.31 158.93 33.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 167.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.34 125.88 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -129.5 137.7 50.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -169.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -135.98 110.8 8.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 50.93 26.83 2.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.67 1.988 . . . . 0.0 115.192 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 m -92.29 160.08 15.3 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.321 0.964 . . . . 0.0 110.287 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.35 122.48 47.52 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.739 2.016 . . . . 0.0 107.032 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -113.81 136.27 53.05 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -139.92 116.47 10.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 46.27 41.97 9.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.98 1.712 . . . . 0.0 113.752 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.42 170.55 14.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.847 1.259 . . . . 0.0 112.829 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -132.42 140.45 48.45 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.099 0.959 . . . . 0.0 109.78 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.21 128.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.089 1.356 . . . . 0.0 107.455 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.99 130.09 37.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.796 0.838 . . . . 0.0 109.647 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 tttt 33.5 49.91 0.26 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.211 2.205 . . . . 0.0 112.937 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 m -125.84 161.66 26.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.51 132.43 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -142.51 140.43 31.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.48 0.582 . . . . 0.0 110.622 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -136.84 113.38 10.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.29 1.436 . . . . 0.0 107.63 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.13 49.3 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.301 1.84 . . . . 0.0 112.446 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.8 m -112.03 168.58 9.49 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.029 0.931 . . . . 0.0 110.387 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -120.42 134.97 55.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.2 mt -134.97 100.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.41 129.42 56.02 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 mttp 51.8 25.23 2.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.396 1.478 . . . . 0.0 114.229 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -112.4 167.56 10.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.594 0.758 . . . . 0.0 111.684 -169.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -128.97 131.92 47.52 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.01 131.0 52.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -169.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -137.03 133.91 36.0 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.118 0.567 . . . . 0.0 109.801 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt 49.69 29.01 2.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -111.52 163.13 14.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.501 1.12 . . . . 0.0 110.637 -169.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -125.71 130.34 51.34 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.764 1.226 . . . . 0.0 107.949 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.8 t -129.65 130.31 45.41 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.144 0.978 . . . . 0.0 109.096 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -138.56 120.14 15.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.47 31.18 51.36 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.74 0.686 . . . . 0.0 113.477 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.86 161.54 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.964 0.905 . . . . 0.0 110.14 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -131.69 121.71 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -170.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -110.1 138.5 46.39 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.3 115.39 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.7 48.69 84.96 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 118.849 -0.973 . . . . 0.0 113.178 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.09 157.88 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 118.296 1.048 . . . . 0.0 110.88 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -128.3 102.84 6.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -124.57 136.44 60.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 122.875 0.47 . . . . 0.0 110.434 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 148.21 47.57 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 53.89 31.69 13.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.648 1.579 . . . . 0.0 113.063 170.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -121.37 175.49 6.14 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.78 0.832 . . . . 0.0 112.025 -169.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -136.97 137.67 39.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.524 1.13 . . . . 0.0 108.747 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 p -135.51 128.29 31.09 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -135.08 111.49 9.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.386 1.074 . . . . 0.0 108.683 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.2 49.96 72.89 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.474 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -137.29 131.13 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.999 0.9 . . . . 0.0 111.683 -169.398 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -95.89 136.51 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 169.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.6 mm -133.88 109.77 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 -173.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -138.42 148.58 44.6 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.041 0.448 . . . . 0.0 111.303 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.17 -97.89 0.18 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -57.65 163.69 20.32 Favored 'Cis proline' 0 C--N 1.349 0.553 0 CA-C-N 120.859 2.33 . . . . 0.0 113.61 -10.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.36 -2.03 20.53 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.547 1.07 . . . . 0.0 112.732 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.3 m -61.22 138.63 58.22 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 118.047 0.923 . . . . 0.0 110.293 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -134.61 123.94 24.61 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.69 134.79 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -142.65 134.93 27.55 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 p 46.62 38.64 5.89 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.555 1.542 . . . . 0.0 113.379 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -115.62 160.98 19.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.237 1.015 . . . . 0.0 110.357 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.4 m -127.16 136.19 51.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 169.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.8 mt -137.55 131.52 43.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.0 m -136.78 132.07 34.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 38.21 51.39 1.52 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.547 1.539 . . . . 0.0 113.299 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.474 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.0 3.76 90.63 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.332 -1.26 . . . . 0.0 114.411 173.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.91 120.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 119.684 1.742 . . . . 0.0 108.022 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.12 150.15 35.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.425 0.69 . . . . 0.0 109.818 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 p -64.4 147.35 97.35 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.061 0.544 . . . . 0.0 110.185 173.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -81.12 7.47 4.93 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.443 2.762 . . . . 0.0 113.797 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.22 137.88 56.53 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.36 1.064 . . . . 0.0 109.396 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.73 -16.75 58.96 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.419 0.688 . . . . 0.0 112.428 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.99 74.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.834 -0.603 . . . . 0.0 111.316 174.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.58 132.36 44.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.662 0.665 . . . . 0.0 110.066 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.79 138.08 50.85 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 tt -141.0 143.86 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.121 1.368 . . . . 0.0 108.677 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 m -146.55 150.06 34.79 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.335 1.054 . . . . 0.0 109.397 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.75 37.35 56.98 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.451 1.5 . . . . 0.0 114.164 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 5.9 t -134.06 160.35 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.394 1.097 . . . . 0.0 112.917 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -125.82 147.25 49.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.897 1.679 . . . . 0.0 108.112 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -128.78 149.42 50.73 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.836 1.255 . . . . 0.0 108.725 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 m -147.06 159.3 43.75 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.307 1.043 . . . . 0.0 109.086 171.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.37 148.97 30.39 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.6 ttt . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.234 1.014 . . . . 0.0 108.431 169.602 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.26 -176.38 47.26 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 p -141.78 119.17 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -148.98 117.84 6.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.73 74.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 172.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -91.91 126.11 36.87 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.362 0.665 . . . . 0.0 110.012 -172.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.16 -56.19 4.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.411 1.084 . . . . 0.0 109.89 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -160.49 12.04 0.11 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.607 1.163 . . . . 0.0 112.375 -175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.406 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.6 m -73.48 159.36 33.33 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 111.257 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -96.69 133.96 40.55 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 170.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.83 113.03 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -71.12 169.94 13.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.398 0.618 . . . . 0.0 111.552 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.05 -25.91 59.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.962 1.305 . . . . 0.0 113.921 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -121.17 34.62 5.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.319 1.048 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 m -121.99 163.38 19.46 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.615 1.566 . . . . 0.0 108.978 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -155.96 148.21 23.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.321 0.51 . . . . 0.0 110.295 -171.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.79 145.37 48.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 168.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.11 116.58 3.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt 62.67 -19.88 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.51 2.724 . . . . 0.0 114.545 -170.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -62.98 164.27 8.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.778 1.231 . . . . 0.0 113.436 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 m -112.14 148.74 33.35 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.366 1.466 . . . . 0.0 107.3 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 132.76 26.8 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.613 -0.679 . . . . 0.0 109.591 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 81.08 2.01 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.437 0.695 . . . . 0.0 109.522 -169.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.78 59.76 4.26 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.94 1.696 . . . . 0.0 111.379 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.406 ' H ' ' CB ' ' A' ' 9' ' ' SER . 5.6 m -106.55 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.946 1.298 . . . . 0.0 109.108 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -137.13 117.24 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.6 mt -123.56 112.89 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -169.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -118.18 115.38 24.66 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.815 1.646 . . . . 0.0 108.488 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 t30 43.0 38.88 1.57 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.911 1.684 . . . . 0.0 113.264 -173.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -129.29 165.04 22.22 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.053 0.941 . . . . 0.0 112.442 -169.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -126.98 133.45 50.57 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.922 0.889 . . . . 0.0 108.642 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -132.31 84.84 2.18 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.1 179.52 2.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -167.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 t0 55.82 52.88 10.09 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.758 2.023 . . . . 0.0 111.89 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 58.29 40.81 24.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.972 0.909 . . . . 0.0 113.163 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -73.38 173.78 9.07 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.193 -0.942 . . . . 0.0 109.543 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.67 146.56 21.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 121.489 -0.757 . . . . 0.0 109.694 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.92 153.24 50.48 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -144.77 126.99 15.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 46.27 36.28 3.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.481 1.512 . . . . 0.0 113.766 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.3 m -116.19 158.61 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.256 0.622 . . . . 0.0 111.248 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -115.63 137.97 51.54 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.684 1.594 . . . . 0.0 107.607 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.62 129.75 33.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -141.32 115.47 9.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -171.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 43.83 42.02 4.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.686 1.994 . . . . 0.0 113.757 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.33 167.13 14.77 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.367 1.467 . . . . 0.0 111.758 -169.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -134.84 138.2 43.98 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 123.612 0.765 . . . . 0.0 109.698 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.65 133.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -135.11 130.76 35.98 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 34.76 52.38 0.57 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.805 2.042 . . . . 0.0 113.54 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.1 m -123.68 156.51 35.78 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.38 -0.825 . . . . 0.0 109.225 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.55 110.66 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -169.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -130.65 139.97 50.37 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 118.632 0.651 . . . . 0.0 109.935 -169.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.2 m -136.29 129.83 32.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.801 1.24 . . . . 0.0 107.714 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t0 42.18 67.46 0.58 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.409 2.283 . . . . 0.0 112.76 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 68.5 m -128.35 167.13 17.4 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.475 0.71 . . . . 0.0 110.682 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -133.07 112.17 11.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 105.626 -1.991 . . . . 0.0 105.626 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mm -117.71 107.66 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -168.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -119.1 127.59 53.51 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 47.14 34.42 2.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.713 1.605 . . . . 0.0 113.652 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.0 m -119.35 165.58 14.12 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.574 0.749 . . . . 0.0 111.198 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -126.22 132.66 51.7 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.277 1.431 . . . . 0.0 107.504 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -136.02 133.76 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.43 136.35 31.26 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.95 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 mt 51.9 27.12 4.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.717 1.207 . . . . 0.0 113.464 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 m -109.71 159.8 16.85 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 110.235 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.0 m -122.43 128.57 51.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.7 t -128.33 126.5 40.86 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.928 0.891 . . . . 0.0 108.786 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 m -135.98 121.25 19.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.54 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 119.415 -0.658 . . . . 0.0 112.632 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.0 m -129.1 165.17 21.76 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.275 1.03 . . . . 0.0 110.482 -169.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.99 134.73 44.86 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -118.23 131.17 56.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -140.24 101.44 4.14 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.91 43.56 82.36 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.764 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 pt -129.12 169.89 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.426 1.613 . . . . 0.0 111.916 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -123.68 129.66 51.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.2 tt -143.15 131.49 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -137.09 135.48 37.5 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.369 0.668 . . . . 0.0 109.484 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m 51.37 35.08 13.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.248 1.419 . . . . 0.0 113.664 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -121.87 174.71 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 111.843 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -136.86 133.93 36.36 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.456 1.102 . . . . 0.0 108.524 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.5 p -136.38 128.48 29.68 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -135.69 114.68 12.18 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.163 0.985 . . . . 0.0 108.409 -174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.06 41.91 99.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.441 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -131.79 121.34 23.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.656 1.228 . . . . 0.0 111.968 -168.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.4 m -93.94 134.35 36.42 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 168.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -137.08 125.05 32.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 m -139.45 166.6 24.14 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.364 1.066 . . . . 0.0 110.746 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -132.83 -80.98 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.48 164.63 54.24 Favored 'Cis proline' 0 CA--C 1.538 0.677 0 CA-C-N 119.942 1.871 . . . . 0.0 111.632 -10.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.3 73.87 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.6 147.3 53.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -136.0 131.6 35.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.9 134.82 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -138.52 141.07 39.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.216 0.606 . . . . 0.0 110.222 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.44 31.2 16.46 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 168.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 94.9 m -104.52 163.56 12.37 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.139 0.976 . . . . 0.0 111.983 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -129.81 133.44 46.95 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mt -141.51 135.36 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 m -140.19 128.82 22.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.41 1.084 . . . . 0.0 108.282 -172.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 40.66 49.28 2.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.521 1.529 . . . . 0.0 113.333 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.441 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.93 2.69 89.55 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.066 -1.408 . . . . 0.0 114.42 172.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 t -130.73 137.02 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 119.898 1.849 . . . . 0.0 108.184 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.45 148.77 47.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.73 -0.606 . . . . 0.0 109.625 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -132.35 161.35 63.57 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 125.103 1.361 . . . . 0.0 109.201 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.46 123.71 10.79 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.73 2.953 . . . . 0.0 113.587 -171.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -141.53 -4.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 56.53 -16.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 130.299 3.44 . . . . 0.0 116.825 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 12.69 3.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.824 1.193 . . . . 0.0 112.777 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.2 t -59.06 133.72 56.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 110.768 -175.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -135.55 128.61 31.59 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.6 tt -141.13 143.99 27.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 124.386 1.074 . . . . 0.0 109.366 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 m -146.81 146.57 30.29 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.52 1.128 . . . . 0.0 109.366 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.33 37.62 60.21 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.26 1.41 . . . . 0.0 113.632 169.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.18 160.2 28.4 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.176 0.988 . . . . 0.0 112.98 -169.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.8 m -134.11 144.81 48.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.833 2.053 . . . . 0.0 107.344 171.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.24 145.88 51.26 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.881 1.272 . . . . 0.0 108.509 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.8 m -142.84 150.38 39.82 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.515 1.126 . . . . 0.0 108.857 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.71 169.27 13.21 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.102 0.561 . . . . 0.0 110.407 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -176.716 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.756 0.313 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.14 29.51 1.93 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.069 1.319 . . . . 0.0 110.766 169.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -137.62 -11.7 1.57 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.32 1.048 . . . . 0.0 113.152 -169.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t -59.09 148.93 29.33 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.617 1.098 . . . . 0.0 109.721 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -122.4 64.99 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -72.89 157.88 36.59 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.119 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -123.06 -66.46 1.02 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.412 1.885 . . . . 0.0 107.3 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -148.81 16.74 0.98 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.227 1.811 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.5 m -69.75 169.62 12.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.5 0.72 . . . . 0.0 110.552 170.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -118.17 139.89 50.6 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.04 116.63 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -64.06 162.7 13.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.22 0.533 . . . . 0.0 111.477 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.49 63.18 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -109.07 -4.72 16.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.371 0.668 . . . . 0.0 112.087 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 m -71.75 171.55 11.39 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.387 0.675 . . . . 0.0 109.985 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -139.45 143.56 37.64 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.565 -0.709 . . . . 0.0 109.187 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -134.2 121.23 21.07 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 104.691 -2.336 . . . . 0.0 104.691 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -143.58 129.99 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 pttt 34.01 45.39 0.11 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.197 2.199 . . . . 0.0 113.297 -173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -140.12 160.66 39.44 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.554 1.542 . . . . 0.0 108.371 -172.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -117.47 141.32 48.49 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.28 124.12 19.96 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -121.58 110.76 16.4 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.365 1.066 . . . . 0.0 109.05 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 42.57 40.82 2.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.203 1.801 . . . . 0.0 113.894 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.4 ' H ' ' CB ' ' A' ' 9' ' ' SER . 10.7 m -87.74 166.69 14.45 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -132.5 125.83 31.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -127.92 118.27 48.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -169.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.83 115.18 23.32 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.812 1.645 . . . . 0.0 108.421 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.98 40.51 1.04 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.291 1.836 . . . . 0.0 113.988 -174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -127.58 165.19 20.39 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.015 0.926 . . . . 0.0 111.436 -169.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.31 130.31 50.58 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 tp -125.22 100.69 6.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.13 163.41 36.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.9 63.4 2.14 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.833 1.653 . . . . 0.0 113.42 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 34.61 17.54 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.936 1.695 . . . . 0.0 113.417 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 m -76.54 152.09 36.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.6 mt -139.25 120.72 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.63 147.49 45.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.459 0.572 . . . . 0.0 109.612 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -143.4 114.37 7.74 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 59.86 13.95 3.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.557 1.543 . . . . 0.0 113.815 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -95.57 166.67 11.73 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.015 -1.053 . . . . 0.0 112.117 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -118.31 138.13 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.966 2.106 . . . . 0.0 107.831 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -135.38 130.51 35.02 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.88 113.8 7.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -171.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 43.27 44.46 4.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.449 1.9 . . . . 0.0 113.13 -173.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.38 171.12 10.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.669 1.588 . . . . 0.0 112.268 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -133.65 144.14 49.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.36 1.064 . . . . 0.0 109.138 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.13 128.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -133.91 127.26 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm 37.15 49.29 0.84 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.294 1.838 . . . . 0.0 113.487 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -128.19 149.07 50.61 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.734 -0.604 . . . . 0.0 109.616 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.76 128.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.13 112.05 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -168.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -125.25 127.86 47.4 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.943 0.897 . . . . 0.0 109.977 -169.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 46.72 40.36 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.889 2.076 . . . . 0.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 m -105.55 165.2 11.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.376 0.671 . . . . 0.0 109.977 -176.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -127.65 111.77 14.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mm -117.05 100.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -118.31 130.98 56.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -171.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm 49.38 21.98 0.64 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.465 1.506 . . . . 0.0 114.196 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -110.31 163.36 13.72 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.146 0.884 . . . . 0.0 111.576 -169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -133.05 115.97 15.79 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.8 t -119.81 134.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 124.8 1.24 . . . . 0.0 108.789 -168.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -141.13 132.65 26.97 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.671 0.788 . . . . 0.0 109.3 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.3 mt 49.05 26.99 1.54 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.54 1.136 . . . . 0.0 113.513 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m -110.95 163.75 13.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.565 1.146 . . . . 0.0 111.341 -168.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.8 m -123.91 131.82 53.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.23 1.412 . . . . 0.0 107.498 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -131.38 134.43 46.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.867 1.267 . . . . 0.0 108.332 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 m -138.03 118.84 14.14 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.84 35.92 59.14 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 118.94 -0.922 . . . . 0.0 113.338 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -130.97 158.88 39.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.458 1.129 . . . . 0.0 112.143 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 124.91 53.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -110.25 132.65 53.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.469 -2.049 . . . . 0.0 105.469 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.32 103.38 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.02 42.46 92.48 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-O 118.544 -1.142 . . . . 0.0 112.457 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.12 146.7 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.08 1.44 . . . . 0.0 111.372 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -99.12 130.19 45.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 168.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.27 131.2 16.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 118.65 0.659 . . . . 0.0 109.622 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -132.36 138.51 47.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.679 0.792 . . . . 0.0 109.739 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m 51.44 29.13 4.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.916 1.287 . . . . 0.0 114.131 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.0 m -114.21 173.31 6.51 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.989 0.813 . . . . 0.0 112.232 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -136.9 134.66 37.05 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 107.888 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.8 p -134.16 154.48 51.2 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.532 0.733 . . . . 0.0 109.417 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.2 m -152.37 134.33 14.87 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.333 -0.854 . . . . 0.0 108.961 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.46 45.45 36.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.924 1.249 . . . . 0.0 114.051 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -142.31 161.62 37.56 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.554 1.677 . . . . 0.0 110.473 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -122.22 130.55 53.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.4 mt -136.35 121.75 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 -169.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.7 m -138.74 154.92 48.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.925 0.89 . . . . 0.0 109.767 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.63 -92.02 1.17 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 108.314 -1.915 . . . . 0.0 108.314 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -70.11 163.1 83.66 Favored 'Cis proline' 0 CA--C 1.539 0.743 0 CA-C-N 120.014 1.907 . . . . 0.0 111.197 -9.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.9 18.25 68.12 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 123.825 0.726 . . . . 0.0 111.786 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -71.97 153.36 41.85 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 117.624 0.712 . . . . 0.0 109.353 173.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.3 m -139.06 132.04 29.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.521 1.528 . . . . 0.0 107.685 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -138.17 139.61 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.957 1.303 . . . . 0.0 107.534 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 m -140.28 143.21 35.79 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 p 46.93 35.3 3.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.309 1.844 . . . . 0.0 113.332 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.5 t -104.39 162.67 13.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.51 0.724 . . . . 0.0 111.788 -169.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 m -129.57 130.85 46.23 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 171.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.54 142.18 31.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.4 m -150.24 134.55 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 43.74 46.31 6.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.189 1.396 . . . . 0.0 113.225 173.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.84 86.72 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 118.83 -0.983 . . . . 0.0 113.784 173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.05 137.37 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.21 175.7 9.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.498 1.519 . . . . 0.0 110.309 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.0 m 66.06 47.85 0.54 Allowed Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 124.262 1.025 . . . . 0.0 113.404 170.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -77.64 5.05 5.5 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 122.001 1.801 . . . . 0.0 111.671 168.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -149.36 142.5 24.99 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 128.202 2.601 . . . . 0.0 107.248 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.29 -15.82 63.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.457 0.703 . . . . 0.0 112.486 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.13 70.44 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.402 0.681 . . . . 0.0 111.674 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.67 133.22 55.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.689 0.677 . . . . 0.0 110.159 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -133.36 136.87 45.61 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.2 mt -138.78 140.49 38.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.9 m -142.86 144.55 32.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.995 1.318 . . . . 0.0 108.605 173.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.78 29.63 67.76 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.72 -1.045 . . . . 0.0 114.39 170.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.99 164.25 16.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.812 1.306 . . . . 0.0 112.809 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.7 m -135.53 135.14 40.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 126.818 2.047 . . . . 0.0 106.282 172.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -128.73 144.8 51.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.534 1.133 . . . . 0.0 108.278 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.9 m -147.93 159.9 43.38 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.096 1.358 . . . . 0.0 109.429 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.82 154.53 38.25 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.846 -0.534 . . . . 0.0 109.724 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.857 0.863 . . . . 0.0 108.785 169.477 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.902 0.382 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.91 -147.18 12.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m -76.49 66.35 2.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.707 1.203 . . . . 0.0 108.228 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.0 m -74.58 -15.66 60.84 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t 37.84 58.54 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.701 2.001 . . . . 0.0 110.268 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -72.71 128.29 35.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.787 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -126.53 107.26 10.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t30 42.63 31.05 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.59 2.356 . . . . 0.0 115.319 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -101.84 161.49 13.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.347 1.059 . . . . 0.0 111.175 -174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -119.22 129.85 55.17 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 114.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.5 p -68.39 166.27 17.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.257 0.551 . . . . 0.0 110.884 -175.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.89 62.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.957 0.903 . . . . 0.0 113.126 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -102.64 0.69 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.287 1.435 . . . . 0.0 111.973 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -91.56 177.88 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.664 1.185 . . . . 0.0 109.083 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -147.27 137.35 23.17 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.497 -0.752 . . . . 0.0 110.733 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.17 144.84 33.62 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.413 1.885 . . . . 0.0 106.77 169.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.04 -44.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-O 122.49 1.138 . . . . 0.0 112.424 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -148.36 97.56 2.78 Favored 'General case' 0 C--N 1.315 -0.933 1 N-CA-C 100.123 -4.029 . . . . 0.0 100.123 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -152.85 -179.63 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.6 m -149.48 133.88 17.47 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 169.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.82 130.5 22.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -125.67 110.95 14.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.18 42.88 0.8 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.919 2.088 . . . . 0.0 113.087 -171.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.61 163.45 23.63 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -132.28 122.42 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.6 mt -136.36 116.99 17.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -169.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -125.38 127.2 46.21 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.223 1.409 . . . . 0.0 109.499 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t30 37.0 40.13 0.14 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.086 2.154 . . . . 0.0 113.89 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 m -130.65 162.47 29.31 Favored 'General case' 0 CA--C 1.527 0.072 0 O-C-N 121.688 -0.633 . . . . 0.0 112.155 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -116.87 133.17 56.34 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.344 0.658 . . . . 0.0 109.376 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -123.38 96.67 5.08 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.51 174.07 12.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 118.643 0.656 . . . . 0.0 112.591 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.8 t0 51.6 46.55 26.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.646 1.978 . . . . 0.0 112.935 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.269 1.3 m 59.99 41.3 17.71 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.841 2.056 . . . . 0.0 112.982 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -70.94 164.07 26.2 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.3 141.85 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.655 0.382 . . . . 0.0 110.515 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.3 t -126.99 138.94 53.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 107.824 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -135.24 103.34 5.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 58.63 20.01 7.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.706 1.202 . . . . 0.0 113.855 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.3 m -89.25 166.38 13.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.459 1.027 . . . . 0.0 110.548 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.98 129.46 56.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.953 1.701 . . . . 0.0 107.334 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.5 135.61 53.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 m -142.55 115.73 8.91 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 47.14 41.76 12.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.046 1.738 . . . . 0.0 113.225 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.55 171.27 12.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.013 1.325 . . . . 0.0 113.147 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -130.34 137.95 50.18 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.164 0.986 . . . . 0.0 109.003 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -137.11 126.92 38.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -134.57 128.73 33.82 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.718 0.807 . . . . 0.0 109.204 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tttm 34.15 50.56 0.37 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 127.05 2.14 . . . . 0.0 112.954 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -125.73 161.24 27.76 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -114.93 132.49 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 137.19 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.335 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.1 m -135.92 131.01 34.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.645 1.178 . . . . 0.0 108.117 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 45.95 46.98 12.56 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.775 2.03 . . . . 0.0 112.099 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.08 165.15 11.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.038 0.935 . . . . 0.0 109.003 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -132.24 119.35 20.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.7 mt -123.04 100.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 -169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.41 127.23 56.05 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -172.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.54 28.69 4.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.089 1.356 . . . . 0.0 113.389 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -118.73 167.45 11.66 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.292 -169.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.83 135.58 51.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.84 130.19 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.13 133.26 33.16 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt 48.51 27.92 1.58 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.588 1.086 . . . . 0.0 113.799 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -112.03 163.81 13.85 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.027 -1.045 . . . . 0.0 111.137 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 m -128.47 107.02 9.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.902 1.281 . . . . 0.0 108.749 -177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.47 131.4 44.76 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.312 0.645 . . . . 0.0 109.37 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.7 m -134.07 113.88 12.57 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.55 37.31 66.84 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 119.208 -0.773 . . . . 0.0 112.715 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -132.23 178.44 6.81 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.485 1.114 . . . . 0.0 110.341 -169.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.48 140.84 35.4 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -123.97 134.65 53.44 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.37 118.29 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 171.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.37 94.18 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.731 -1.038 . . . . 0.0 113.415 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -125.02 164.58 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 118.968 1.384 . . . . 0.0 111.768 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -122.97 122.72 39.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 169.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.08 131.92 42.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -134.77 142.27 46.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.983 0.42 . . . . 0.0 111.508 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 52.78 31.2 10.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.441 1.497 . . . . 0.0 113.62 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -120.12 174.77 6.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.907 0.883 . . . . 0.0 111.927 -169.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -137.4 139.49 40.75 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.458 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p -138.63 130.56 28.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 m -132.65 128.37 36.92 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.085 0.954 . . . . 0.0 108.607 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.56 32.55 39.14 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 118.264 -1.298 . . . . 0.0 114.411 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -129.7 165.2 22.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.313 2.056 . . . . 0.0 110.963 -171.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 t -130.12 131.6 45.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -127.45 135.57 62.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.3 m -136.44 166.28 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.146 1.378 . . . . 0.0 109.867 -170.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.95 -149.17 0.18 Allowed Glycine 0 CA--C 1.542 1.736 0 C-N-CA 126.775 2.131 . . . . 0.0 113.867 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.32 -14.55 31.61 Favored 'Cis proline' 0 CA--C 1.538 0.703 0 CA-C-N 119.595 1.698 . . . . 0.0 115.298 10.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 40.8 0.92 Allowed Glycine 0 N--CA 1.465 0.615 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.04 132.58 51.02 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.749 0.82 . . . . 0.0 111.47 -169.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.8 m -139.05 124.83 19.66 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 126.704 2.002 . . . . 0.0 105.752 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.95 135.12 48.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.8 m -135.38 137.86 42.75 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.238 1.015 . . . . 0.0 109.409 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.84 37.46 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.632 1.573 . . . . 0.0 114.358 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.7 m -100.6 161.84 13.33 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.091 0.957 . . . . 0.0 110.824 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.5 m -129.07 130.92 47.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 104.046 -2.576 . . . . 0.0 104.046 169.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mt -135.92 132.21 50.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.2 m -131.1 123.04 27.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 43.63 41.82 3.76 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.517 1.527 . . . . 0.0 113.522 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.12 69.64 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.002 -0.888 . . . . 0.0 113.352 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.69 111.19 29.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 150.72 41.2 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.3 p -64.91 152.19 91.42 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 123.19 0.596 . . . . 0.0 110.439 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.66 12.2 2.84 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.658 2.905 . . . . 0.0 113.198 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.65 136.57 53.16 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.972 0.909 . . . . 0.0 109.173 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.61 62.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.405 0.682 . . . . 0.0 112.401 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.4 72.06 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.968 0.507 . . . . 0.0 111.312 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.54 127.85 34.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -132.86 131.06 40.55 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 tt -143.81 147.79 19.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.325 1.05 . . . . 0.0 109.17 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -157.77 150.04 22.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 109.15 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.62 19.11 70.76 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.762 -1.021 . . . . 0.0 114.687 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 81.3 m -110.93 163.47 13.78 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.535 1.167 . . . . 0.0 112.222 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.8 m -136.31 139.04 42.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 168.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.23 155.3 41.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.868 0.758 . . . . 0.0 111.435 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 m -155.34 170.8 21.05 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.502 1.521 . . . . 0.0 109.878 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.32 148.41 49.75 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 168.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.499 0.72 . . . . 0.0 109.247 176.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.3 164.16 37.46 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.5 p -96.52 -165.94 1.34 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.247 1.019 . . . . 0.0 110.538 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.2 m -70.79 -13.76 62.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 117.679 -1.153 . . . . 0.0 113.409 169.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 t 34.34 58.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.511 1.924 . . . . 0.0 109.193 -169.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -76.74 102.82 6.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.517 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -68.51 -54.98 13.33 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -170.14 81.3 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.175 1.79 . . . . 0.0 107.512 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -144.48 168.63 19.66 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.409 1.484 . . . . 0.0 110.844 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -128.5 134.79 48.78 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.03 1.332 . . . . 0.0 108.506 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.62 122.85 17.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.7 p -71.73 168.85 16.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.303 0.573 . . . . 0.0 111.726 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.62 -27.32 62.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.573 1.149 . . . . 0.0 113.837 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -109.99 -0.46 18.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.293 0.637 . . . . 0.0 112.12 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -78.58 165.75 23.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -143.45 149.89 38.24 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 p -136.17 129.25 31.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.72 134.56 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 pttt 34.68 45.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.606 1.962 . . . . 0.0 113.177 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -139.99 178.4 7.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.96 1.704 . . . . 0.0 108.211 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.3 m -136.05 141.85 44.33 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -173.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.62 120.45 12.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.93 0.492 . . . . 0.0 109.76 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.5 m -125.71 124.71 41.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 108.801 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.67 37.62 3.45 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.769 1.628 . . . . 0.0 112.04 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.1 t -94.64 152.75 18.24 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -126.11 125.54 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.9 mt -127.74 106.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 -172.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -115.39 120.24 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 125.357 1.463 . . . . 0.0 108.269 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 t30 40.16 32.02 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.754 2.021 . . . . 0.0 113.713 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -117.41 156.89 27.15 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.862 0.865 . . . . 0.0 111.636 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -125.35 117.03 22.85 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -169.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -117.73 104.55 11.1 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 125.181 1.392 . . . . 0.0 107.502 -171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.16 163.45 36.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 112.823 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 t70 52.77 66.51 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.216 1.806 . . . . 0.0 113.599 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.09 33.0 19.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.984 1.713 . . . . 0.0 113.255 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.3 m -76.02 149.9 37.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.04 133.24 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -129.53 135.76 49.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 m -139.3 118.52 12.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 44.82 39.91 3.89 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.053 1.741 . . . . 0.0 114.197 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -125.69 167.79 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.603 0.761 . . . . 0.0 111.882 -172.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -119.47 132.89 55.88 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.686 1.594 . . . . 0.0 108.052 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.0 133.8 54.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m -141.4 118.84 11.51 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.12 42.55 3.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.538 1.935 . . . . 0.0 113.057 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.95 167.03 12.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.95 1.3 . . . . 0.0 112.142 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -132.21 143.65 50.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.28 1.032 . . . . 0.0 109.034 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.14 130.59 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -133.9 124.75 26.95 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.33 47.93 1.57 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.431 1.892 . . . . 0.0 113.262 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -126.6 150.53 48.83 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.33 124.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.24 130.97 41.64 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.6 m -137.0 123.6 20.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 t70 50.24 46.71 24.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.56 1.544 . . . . 0.0 113.434 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.3 m -116.85 165.11 13.7 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.427 -0.796 . . . . 0.0 111.607 -174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -132.58 111.55 11.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -124.76 110.7 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -169.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -123.66 135.15 53.74 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm 49.86 21.22 0.66 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.249 1.819 . . . . 0.0 114.377 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -109.81 164.28 12.72 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.973 0.806 . . . . 0.0 112.839 -168.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -128.35 126.39 40.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.94 133.47 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 123.9 0.88 . . . . 0.0 108.855 -168.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -143.11 127.8 18.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.683 0.793 . . . . 0.0 109.665 -173.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt 44.1 35.08 1.09 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.845 1.202 . . . . 0.0 113.977 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -115.26 159.16 21.34 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 120.942 -1.099 . . . . 0.0 110.307 -169.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.9 m -125.36 126.93 45.82 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -123.59 126.88 47.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.848 1.259 . . . . 0.0 108.124 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -134.61 118.74 17.54 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 31.28 58.64 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.998 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.3 m -125.5 169.75 12.11 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.267 1.034 . . . . 0.0 111.092 -169.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -139.98 129.89 24.74 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.482 -0.761 . . . . 0.0 109.005 -169.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -119.86 139.97 51.55 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -140.73 105.94 5.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.578 0.751 . . . . 0.0 109.145 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.77 45.51 88.27 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-O 118.8 -1.0 . . . . 0.0 112.78 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.9 156.21 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 118.828 1.314 . . . . 0.0 110.912 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -114.14 125.7 54.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 168.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -138.59 128.44 32.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -128.72 144.59 51.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.598 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m 53.81 27.19 6.79 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.927 1.291 . . . . 0.0 113.582 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 m -117.13 173.5 6.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.675 0.79 . . . . 0.0 112.097 -169.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -134.46 135.08 42.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.354 1.062 . . . . 0.0 108.205 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -135.64 125.77 26.18 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 120.64 22.39 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 44.58 74.53 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 117.401 -1.777 . . . . 0.0 113.017 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 t -140.24 151.16 44.93 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.137 2.469 . . . . 0.0 111.209 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 m -109.54 145.13 36.83 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.394 1.077 . . . . 0.0 108.45 171.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.6 mt -142.48 131.06 21.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -137.68 167.39 21.79 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.807 1.243 . . . . 0.0 109.971 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.44 -86.18 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 169.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.53 166.89 77.16 Favored 'Cis proline' 0 CA--C 1.541 0.846 0 CA-C-N 119.945 1.873 . . . . 0.0 110.816 -10.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.71 15.73 78.86 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.13 144.86 56.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.019 0.928 . . . . 0.0 108.71 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -138.48 126.35 22.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.318 1.447 . . . . 0.0 107.37 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 mt -138.2 137.94 43.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 124.574 1.15 . . . . 0.0 108.052 -174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -139.06 141.24 38.21 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.167 0.587 . . . . 0.0 110.118 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.48 33.93 3.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.27 1.828 . . . . 0.0 113.984 169.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 t -104.87 165.51 11.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.926 0.89 . . . . 0.0 110.745 -173.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.1 m -129.14 128.68 43.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -136.27 134.76 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 m -141.51 134.04 28.35 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.657 0.783 . . . . 0.0 109.283 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 43.99 38.19 2.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.241 1.816 . . . . 0.0 114.995 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.44 11.8 63.83 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.758 -1.023 . . . . 0.0 113.326 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 123.13 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 119.053 1.426 . . . . 0.0 107.808 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.24 142.22 39.64 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.9 m -69.3 133.13 89.47 Favored Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.34 19.09 0.74 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.784 2.989 . . . . 0.0 113.832 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.42 142.41 58.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.931 0.892 . . . . 0.0 108.923 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.59 63.7 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.7 -27.93 65.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.1 -0.476 . . . . 0.0 111.65 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.01 132.9 46.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.778 0.717 . . . . 0.0 109.165 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -131.56 135.59 47.14 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.8 tt -145.11 142.38 22.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 125.279 1.431 . . . . 0.0 107.752 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.6 m -157.69 141.9 16.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.18 0.992 . . . . 0.0 109.438 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.03 26.09 73.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 119.15 -0.806 . . . . 0.0 113.385 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 86.4 m -116.5 159.69 21.7 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.393 1.096 . . . . 0.0 112.016 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.8 m -132.85 149.77 52.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 127.111 2.164 . . . . 0.0 106.288 169.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.96 151.47 49.64 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.09 0.956 . . . . 0.0 109.007 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.61 167.2 31.17 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.326 1.05 . . . . 0.0 109.511 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.22 -178.78 4.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.927 0.87 . . . . 0.0 111.796 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mmm . . . . . 0 C--O 1.247 0.954 0 C-N-CA 127.928 2.491 . . . . 0.0 104.747 169.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.94 179.62 48.7 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -142.52 -59.58 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.8 1.24 . . . . 0.0 107.825 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.75 151.42 32.35 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.14 1.376 . . . . 0.0 108.113 174.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.19 70.7 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.59 135.72 38.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.908 -0.495 . . . . 0.0 109.667 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 m -130.58 93.2 3.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.159 2.183 . . . . 0.0 106.318 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.8 t30 53.5 18.22 1.33 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.434 2.294 . . . . 0.0 116.067 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -74.22 159.38 32.58 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 120.516 -1.365 . . . . 0.0 110.413 170.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -103.63 134.33 47.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.96 119.9 24.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -68.19 167.99 13.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.057 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.91 60.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.311 1.044 . . . . 0.0 113.522 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -106.89 -13.83 15.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.8 m -63.85 163.44 11.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.497 . . . . 0.0 110.028 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -132.56 141.54 48.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 t -137.32 116.12 12.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -142.04 117.78 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 63.8 -25.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.128 2.571 . . . . 0.0 114.577 -173.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.6 m -58.51 170.16 0.8 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.677 1.991 . . . . 0.0 113.497 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -123.2 137.12 54.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.88 117.41 12.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -113.83 104.84 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.42 42.15 3.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.125 2.17 . . . . 0.0 112.907 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.4 m -84.13 172.52 11.87 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.47 117.77 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mt -127.58 110.26 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 -169.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -120.04 123.41 43.37 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 125.605 1.562 . . . . 0.0 108.67 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t30 38.64 33.29 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.254 2.222 . . . . 0.0 113.956 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.3 m -118.39 158.86 24.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.853 0.861 . . . . 0.0 111.418 -169.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.24 6.74 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -172.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.33 93.47 6.89 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.08 177.33 6.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 121.323 -0.86 . . . . 0.0 112.034 -169.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 57.76 51.36 9.38 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.108 1.363 . . . . 0.0 111.055 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.8 m 47.52 47.91 17.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.011 1.724 . . . . 0.0 115.046 -174.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -75.18 163.06 27.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 167.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -140.44 131.61 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -134.03 151.28 51.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.0 0.818 . . . . 0.0 110.741 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -138.86 113.77 9.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 56.38 13.98 1.46 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.1 m -84.4 155.15 22.42 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.88 1.218 . . . . 0.0 110.3 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -101.4 133.92 45.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.414 1.486 . . . . 0.0 107.102 171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.28 132.1 52.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.519 -1.659 . . . . 0.0 106.519 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 m -138.79 117.12 11.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 45.46 39.65 4.84 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.355 1.862 . . . . 0.0 113.322 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.87 171.7 7.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.139 1.375 . . . . 0.0 111.928 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.96 143.27 40.63 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.353 1.061 . . . . 0.0 109.222 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.81 131.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.272 1.029 . . . . 0.0 108.534 -169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -132.8 126.57 32.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.601 0.761 . . . . 0.0 109.09 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt 32.47 50.1 0.18 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.071 2.148 . . . . 0.0 113.527 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -122.76 159.81 27.25 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.26 136.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.8 t -140.86 145.68 36.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.584 0.629 . . . . 0.0 110.845 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 m -136.43 112.83 9.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 46.03 56.13 6.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.279 2.232 . . . . 0.0 112.669 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.18 171.32 7.48 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.248 1.019 . . . . 0.0 110.362 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -130.67 110.46 11.39 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.4 mt -122.62 114.24 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -169.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -122.44 131.09 53.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.848 0.859 . . . . 0.0 108.914 -169.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.04 27.06 3.06 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.885 1.674 . . . . 0.0 113.678 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.5 m -115.53 163.7 15.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.588 0.755 . . . . 0.0 111.162 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -121.42 137.24 54.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.07 131.77 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -142.9 132.91 24.27 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.578 0.751 . . . . 0.0 109.187 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.8 mt 48.46 23.55 0.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.35 1.46 . . . . 0.0 114.403 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.4 m -104.79 162.03 13.66 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.972 -1.08 . . . . 0.0 110.652 -169.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.8 m -127.03 128.37 46.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.943 1.297 . . . . 0.0 107.707 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.82 129.75 50.04 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.195 0.998 . . . . 0.0 108.905 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -135.11 117.12 15.31 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.63 36.0 53.34 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.187 -0.785 . . . . 0.0 113.135 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -126.7 174.07 9.02 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.756 1.222 . . . . 0.0 109.977 -170.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -142.98 131.36 22.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -120.39 140.83 50.75 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.67 116.14 11.25 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.13 43.17 99.51 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.689 -1.062 . . . . 0.0 113.395 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -120.81 164.32 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.998 1.399 . . . . 0.0 111.318 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -120.33 125.68 48.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.385 -2.82 . . . . 0.0 103.385 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -138.05 132.21 42.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -131.76 132.11 43.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.072 0.949 . . . . 0.0 108.925 -170.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 51.86 30.97 7.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.876 1.27 . . . . 0.0 113.932 169.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -117.03 174.84 5.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.619 0.768 . . . . 0.0 111.694 -169.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -134.51 135.55 42.45 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.44 1.096 . . . . 0.0 108.117 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -134.73 131.22 37.36 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 m -132.64 126.66 33.16 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 34.83 53.79 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 117.692 -1.616 . . . . 0.0 114.448 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -134.81 149.45 50.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.664 2.232 . . . . 0.0 111.448 -169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -104.65 139.63 39.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.82 128.6 37.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.7 m -138.9 168.85 18.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.565 1.146 . . . . 0.0 109.561 -173.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -142.9 -83.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.35 168.89 71.47 Favored 'Cis proline' 0 CA--C 1.54 0.79 0 CA-C-N 119.838 1.819 . . . . 0.0 111.037 -10.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.45 12.61 80.13 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 123.699 0.666 . . . . 0.0 111.679 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.23 144.04 57.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.231 1.012 . . . . 0.0 108.995 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -139.41 126.32 20.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.294 1.438 . . . . 0.0 107.21 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -137.48 138.85 44.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -139.4 144.24 38.03 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.468 0.707 . . . . 0.0 109.996 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 p 45.78 39.13 4.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.776 2.03 . . . . 0.0 113.699 170.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -112.31 163.47 14.35 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.968 0.907 . . . . 0.0 110.568 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.1 m -129.86 129.1 43.52 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 171.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -136.4 133.39 49.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 -169.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -134.72 123.64 23.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 41.74 42.72 2.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.999 1.72 . . . . 0.0 113.92 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.41 0.01 70.72 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.447 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.2 112.9 42.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.76 143.93 49.4 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 169.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -68.05 134.65 91.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -74.52 78.31 2.75 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.822 3.015 . . . . 0.0 110.105 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.78 137.39 38.18 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.06 1.344 . . . . 0.0 108.309 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.25 66.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.469 0.708 . . . . 0.0 112.598 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.62 74.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.529 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.99 132.03 45.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.608 0.64 . . . . 0.0 110.276 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -126.97 137.99 53.2 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.3 141.45 30.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -154.22 141.11 19.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.556 1.142 . . . . 0.0 109.065 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.17 21.55 73.88 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.865 -0.964 . . . . 0.0 113.993 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.73 162.86 14.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.771 1.286 . . . . 0.0 112.32 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -133.35 134.1 43.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.969 -2.234 . . . . 0.0 104.969 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.5 mp -127.77 141.01 51.7 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 m -149.13 167.39 26.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.569 1.148 . . . . 0.0 109.972 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.49 -178.5 1.78 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.173 0.589 . . . . 0.0 110.453 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.922 1.289 . . . . 0.0 108.08 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.667 0.27 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.7 -31.02 0.51 Allowed Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.728 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -55.83 134.25 51.67 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.537 1.135 . . . . 0.0 110.373 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.7 m -65.38 166.83 9.49 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.175 0.59 . . . . 0.0 111.302 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.7 56.64 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -80.52 128.73 33.93 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.586 -0.696 . . . . 0.0 109.358 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -84.85 -56.6 3.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.765 1.226 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -159.64 11.76 0.13 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.884 1.274 . . . . 0.0 111.986 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -71.08 157.38 38.28 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.939 -1.1 . . . . 0.0 110.799 -174.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -99.91 123.92 44.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 mm -124.65 120.05 57.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 -176.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -68.78 167.08 16.19 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.291 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -26.82 56.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.619 1.167 . . . . 0.0 113.812 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -110.17 -1.92 17.15 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.486 0.714 . . . . 0.0 112.176 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.4 m -79.21 167.21 21.29 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -144.26 161.19 39.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.608 0.763 . . . . 0.0 109.439 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 p -133.83 32.9 3.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.686 1.995 . . . . 0.0 111.219 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 t -48.04 119.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.145 1.778 . . . . 0.0 111.371 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt 35.87 40.05 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.535 2.334 . . . . 0.0 114.292 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -127.1 156.45 41.71 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.779 0.832 . . . . 0.0 108.989 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -93.96 142.87 26.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.23 130.88 25.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.67 85.43 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -169.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.75 44.21 28.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.057 1.743 . . . . 0.0 111.871 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 m -87.44 175.04 8.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.576 1.151 . . . . 0.0 108.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -126.21 120.9 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 mt -132.09 110.07 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 -174.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -119.45 124.94 47.72 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.902 1.281 . . . . 0.0 109.409 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t30 38.15 36.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.255 2.222 . . . . 0.0 113.613 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.4 m -123.01 153.14 40.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 121.881 0.848 . . . . 0.0 111.72 -169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -119.23 91.97 3.68 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -169.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -82.33 119.92 24.75 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.57 162.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 118.815 0.734 . . . . 0.0 111.574 -171.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t0 36.38 88.32 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 128.76 2.824 . . . . 0.0 114.583 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.77 32.28 9.32 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -76.73 169.7 17.82 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.25 140.6 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.9 p -128.48 152.41 48.29 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.6 m -141.49 109.28 5.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.8 tpt85 55.11 16.24 1.51 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.995 1.318 . . . . 0.0 114.047 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -83.25 160.79 21.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.025 -1.047 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -118.07 124.7 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.899 1.68 . . . . 0.0 107.26 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -113.94 144.05 43.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -146.71 119.04 8.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 45.34 42.84 7.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.615 1.966 . . . . 0.0 113.413 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.86 9.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.343 1.457 . . . . 0.0 111.988 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.8 139.66 38.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.201 -0.937 . . . . 0.0 109.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.27 129.47 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.1 128.77 32.82 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.915 0.886 . . . . 0.0 109.711 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 30.99 52.13 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.346 2.258 . . . . 0.0 113.087 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.6 m -127.04 164.04 22.41 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.2 130.28 74.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -171.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -144.37 142.83 30.62 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.544 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -136.67 119.3 16.02 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 107.855 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 43.98 59.38 3.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.08 2.152 . . . . 0.0 112.234 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.46 168.9 9.46 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.468 0.707 . . . . 0.0 110.286 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -129.06 114.15 16.03 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.08 107.93 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.64 127.05 50.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -170.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp 50.56 31.59 5.81 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.9 1.28 . . . . 0.0 112.968 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -122.01 163.62 19.05 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.007 0.923 . . . . 0.0 110.613 -169.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.82 139.83 53.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.26 129.96 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -136.96 136.93 38.98 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.82 31.19 3.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.04 1.336 . . . . 0.0 114.177 173.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -116.25 164.23 14.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.88 1.272 . . . . 0.0 110.949 -169.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.6 m -125.48 135.76 52.65 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.46 1.104 . . . . 0.0 108.67 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 t -132.85 128.61 37.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.216 1.007 . . . . 0.0 109.263 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 m -137.72 123.55 20.03 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.24 37.82 47.88 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 123.56 0.6 . . . . 0.0 112.795 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.1 m -130.79 169.76 15.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.171 1.388 . . . . 0.0 109.301 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -136.39 146.05 46.03 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -124.72 130.8 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.9 116.08 15.2 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.81 45.62 94.67 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.8 -1.0 . . . . 0.0 113.244 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.71 160.84 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.296 1.548 . . . . 0.0 109.803 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.27 12.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 tt -117.6 134.63 60.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.93 0.892 . . . . 0.0 109.074 -171.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -138.8 139.9 38.39 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.554 0.342 . . . . 0.0 111.513 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.3 m 51.65 34.27 12.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.208 1.403 . . . . 0.0 113.084 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.3 m -122.7 179.46 4.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.008 0.923 . . . . 0.0 112.123 -169.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -146.08 137.7 24.89 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.578 -1.326 . . . . 0.0 108.697 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 p -138.25 129.04 26.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -136.58 117.91 14.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.34 45.25 96.34 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.076 -0.847 . . . . 0.0 111.831 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.502 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -140.98 114.98 9.13 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.693 1.247 . . . . 0.0 111.247 -169.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.6 m -88.35 130.62 35.1 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.9 132.46 43.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -138.51 150.86 46.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.456 1.102 . . . . 0.0 109.586 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.95 -98.17 2.54 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 108.373 -1.891 . . . . 0.0 108.373 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.09 161.68 93.36 Favored 'Cis proline' 0 CA--C 1.54 0.794 0 CA-C-N 119.961 1.881 . . . . 0.0 111.474 -7.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.42 19.34 76.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.289 0.947 . . . . 0.0 112.039 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.24 157.47 35.81 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.025 0.912 . . . . 0.0 110.311 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 t -132.03 140.87 49.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.005 1.322 . . . . 0.0 108.032 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.4 mt -137.84 137.44 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 m -139.32 145.4 39.02 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.044 0.538 . . . . 0.0 110.922 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p 43.64 44.48 5.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.795 1.638 . . . . 0.0 114.18 168.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.8 t -126.16 156.17 40.57 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.686 -0.634 . . . . 0.0 111.059 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.6 m -123.25 135.46 54.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.3 mt -136.75 130.19 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 m -131.81 122.85 26.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 38.96 51.75 1.9 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.769 1.628 . . . . 0.0 112.503 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.502 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.56 -7.02 70.52 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.797 -1.002 . . . . 0.0 114.343 173.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.82 109.09 23.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 119.384 1.592 . . . . 0.0 107.058 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 144.92 49.38 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.6 p -67.48 155.04 92.01 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 122.823 0.449 . . . . 0.0 110.918 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.96 30.08 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.378 3.385 . . . . 0.0 112.059 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.57 -14.27 62.9 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 59.56 -26.51 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 129.563 3.145 . . . . 0.0 114.846 -170.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -24.16 67.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.716 1.207 . . . . 0.0 111.398 169.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.75 121.18 6.73 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.976 0.91 . . . . 0.0 110.475 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -131.63 134.19 45.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.52 136.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 -178.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.8 m -141.96 123.18 14.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.495 1.118 . . . . 0.0 108.375 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.64 17.49 78.08 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.57 -1.128 . . . . 0.0 114.897 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 163.88 12.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.287 1.543 . . . . 0.0 112.469 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.3 m -137.43 143.4 41.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.587 2.755 . . . . 0.0 104.557 169.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -147.9 166.15 28.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.975 0.807 . . . . 0.0 111.995 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.1 m -144.77 141.13 28.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.996 1.719 . . . . 0.0 108.251 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.82 145.91 40.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.08 0.552 . . . . 0.0 110.343 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 C--O 1.249 1.037 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 169.234 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.79 -174.64 45.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -57.55 136.5 56.75 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -163.37 157.57 20.17 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.36 122.84 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -140.85 129.26 22.51 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.279 0.632 . . . . 0.0 109.671 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -79.81 -67.59 0.75 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -159.16 34.11 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.213 2.205 . . . . 0.0 109.855 -175.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -79.64 160.71 26.25 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 120.78 -1.2 . . . . 0.0 110.381 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.78 132.81 43.06 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.47 111.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 169.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -70.77 169.1 15.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 111.297 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.77 46.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.111 1.364 . . . . 0.0 114.415 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -117.17 6.78 12.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.698 0.799 . . . . 0.0 111.997 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -82.55 172.05 13.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.755 -0.59 . . . . 0.0 109.623 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -141.24 154.03 45.56 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.022 0.929 . . . . 0.0 109.485 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.96 28.82 2.59 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.451 1.501 . . . . 0.0 111.618 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -56.36 130.49 19.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 124.075 0.95 . . . . 0.0 110.905 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 pttt 37.47 40.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.726 2.41 . . . . 0.0 112.961 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -132.8 167.17 20.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.159 1.384 . . . . 0.0 108.674 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -125.04 134.48 52.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.6 122.59 26.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.408 0.683 . . . . 0.0 109.355 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -114.56 96.2 5.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 40.5 48.19 2.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 -173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.1 m -85.07 174.37 9.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -133.87 112.09 11.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 mt -122.62 110.91 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -115.2 116.47 28.41 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.256 1.822 . . . . 0.0 108.495 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 41.95 34.11 0.42 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.322 1.849 . . . . 0.0 114.351 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.4 m -121.62 151.47 40.37 Favored 'General case' 0 CA--C 1.526 0.053 0 O-C-N 121.293 -0.879 . . . . 0.0 112.039 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.31 93.11 4.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.78 108.04 16.57 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.61 165.62 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.341 1.428 . . . . 0.0 112.172 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 52.84 72.5 0.41 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 126.435 1.894 . . . . 0.0 113.3 172.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.25 1.1 m 50.72 36.86 15.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.336 1.854 . . . . 0.0 114.0 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -78.78 151.52 31.94 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.18 130.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -172.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -132.38 150.86 52.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.678 0.672 . . . . 0.0 110.301 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -138.62 111.42 7.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 55.98 16.21 2.07 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -85.12 154.91 21.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.339 0.972 . . . . 0.0 109.996 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -100.56 133.98 44.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.359 1.464 . . . . 0.0 107.101 170.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.69 133.05 53.34 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 169.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -139.29 117.84 12.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.61 41.88 3.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.582 1.953 . . . . 0.0 113.38 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.39 166.0 15.41 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.324 1.45 . . . . 0.0 111.884 -169.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.12 144.56 50.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.304 1.042 . . . . 0.0 109.184 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 132.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 123.977 0.911 . . . . 0.0 109.081 -169.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -130.66 125.95 35.33 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt 35.38 49.53 0.49 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.237 2.215 . . . . 0.0 113.568 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -123.36 158.46 31.02 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.76 133.18 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -172.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 t -138.96 144.08 38.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.7 m -136.51 114.94 11.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.802 1.241 . . . . 0.0 107.782 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 47.24 51.8 12.82 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.595 1.958 . . . . 0.0 112.697 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -107.44 172.51 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.587 0.755 . . . . 0.0 110.729 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -135.66 102.11 4.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.7 mt -117.6 118.46 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -168.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.06 131.95 50.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.92 0.888 . . . . 0.0 109.115 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttp 50.75 29.16 4.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.915 1.686 . . . . 0.0 113.643 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -118.11 163.48 16.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.671 0.788 . . . . 0.0 110.935 -170.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -123.38 134.86 53.95 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.49 133.92 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.604 1.162 . . . . 0.0 108.223 -168.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.44 133.79 29.82 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.1 mt 47.06 27.67 0.79 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.021 1.328 . . . . 0.0 114.298 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -109.25 162.34 14.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.54 1.136 . . . . 0.0 110.94 -169.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m -127.26 128.48 46.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.555 1.142 . . . . 0.0 108.052 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.1 t -126.58 130.64 50.91 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.08 0.952 . . . . 0.0 109.105 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.7 m -135.79 120.57 18.47 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.46 43.05 51.96 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.754 171.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -136.62 171.3 14.69 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.192 0.997 . . . . 0.0 111.077 -170.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -133.71 140.76 47.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -122.75 140.73 52.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.62 116.69 12.5 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.7 45.3 94.81 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.575 -1.125 . . . . 0.0 113.357 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.2 164.58 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 119.11 1.455 . . . . 0.0 111.453 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -123.6 119.45 29.91 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 169.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -135.76 128.21 46.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -131.36 138.84 49.33 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.775 0.43 . . . . 0.0 110.526 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 53.05 30.38 9.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.493 1.517 . . . . 0.0 113.632 171.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.2 m -117.78 175.29 5.72 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.758 0.823 . . . . 0.0 111.951 -169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -136.74 138.14 40.66 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.439 1.096 . . . . 0.0 108.742 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 p -138.24 127.3 24.15 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.314 1.046 . . . . 0.0 108.611 -177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 m -138.32 117.75 12.88 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.25 1.02 . . . . 0.0 109.314 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.69 43.14 99.4 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 121.568 -0.708 . . . . 0.0 111.61 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.72 154.05 50.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.951 0.875 . . . . 0.0 111.134 -169.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -126.33 132.13 51.67 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 169.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.5 mm -127.36 130.96 70.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 -169.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -147.05 169.82 18.45 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.722 -0.611 . . . . 0.0 110.193 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.33 -79.16 0.04 OUTLIER Glycine 0 CA--C 1.531 1.09 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.68 171.0 63.46 Favored 'Cis proline' 0 CA--C 1.54 0.778 0 CA-C-N 119.89 1.845 . . . . 0.0 110.904 -10.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.74 20.66 73.46 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.63 143.79 53.14 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.177 0.991 . . . . 0.0 108.754 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.1 m -136.71 127.25 26.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.385 1.474 . . . . 0.0 107.557 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 mt -138.05 132.13 42.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -134.71 131.94 38.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.874 0.869 . . . . 0.0 108.96 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.255 7.6 p 48.21 32.01 2.88 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.844 1.658 . . . . 0.0 114.634 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 98.5 m -91.77 160.68 15.21 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.284 -0.885 . . . . 0.0 111.127 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.2 m -130.12 123.18 29.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.23 131.61 60.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -170.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 m -137.96 137.91 38.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -174.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 40.06 46.18 1.77 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.119 1.767 . . . . 0.0 113.66 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.87 85.57 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 117.509 -1.717 . . . . 0.0 115.093 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 p -131.73 138.39 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.443 2.122 . . . . 0.0 110.536 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.6 146.84 35.96 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.329 0.652 . . . . 0.0 109.81 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -68.43 136.07 90.91 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.05 18.95 0.61 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.698 2.932 . . . . 0.0 113.944 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.26 138.39 58.18 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.137 0.975 . . . . 0.0 109.169 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.36 -18.5 61.67 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.305 0.642 . . . . 0.0 112.367 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.74 -26.62 67.08 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.761 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 54.0 t -73.75 130.15 39.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.251 0.932 . . . . 0.0 109.277 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -131.01 132.32 44.9 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -143.72 146.32 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.244 1.018 . . . . 0.0 108.876 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m -157.55 146.04 19.34 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.281 1.032 . . . . 0.0 109.582 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.12 73.29 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.949 -0.917 . . . . 0.0 113.747 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 77.7 m -115.01 159.62 20.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.576 1.188 . . . . 0.0 112.059 -171.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.8 m -130.53 144.82 51.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.176 2.19 . . . . 0.0 106.256 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -129.12 143.55 50.9 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.628 1.171 . . . . 0.0 108.474 -174.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.4 m -142.32 152.01 42.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 108.876 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.38 30.51 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.464 0.706 . . . . 0.0 109.887 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 81.4 mmm . . . . . 0 C--O 1.251 1.149 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 169.276 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 119.423 -0.322 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.67 -168.58 40.23 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 m -121.77 59.04 0.99 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -146.24 165.43 29.24 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.106 1.363 . . . . 0.0 111.325 -169.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -82.15 72.37 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -80.76 121.49 25.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -78.93 -56.43 4.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.829 0.852 . . . . 0.0 109.541 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -162.53 15.54 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.049 1.339 . . . . 0.0 111.556 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -73.09 161.86 30.13 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.672 1.189 . . . . 0.0 111.055 -174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.86 135.11 49.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.435 1.494 . . . . 0.0 107.225 175.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.66 115.58 17.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -70.65 168.17 17.05 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.257 0.551 . . . . 0.0 111.579 -176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 -27.25 61.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.93 1.292 . . . . 0.0 114.411 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -114.18 4.16 15.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.547 0.739 . . . . 0.0 111.97 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.2 m -81.73 166.13 20.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 169.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.37 150.82 39.67 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 t -133.98 124.67 26.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.14 133.9 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 pttt 38.28 44.5 0.7 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.69 2.396 . . . . 0.0 113.591 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -136.9 177.73 7.63 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.107 1.363 . . . . 0.0 108.95 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -122.16 142.77 50.07 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.47 122.23 18.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 88.49 2.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -170.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.42 51.69 16.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.456 1.902 . . . . 0.0 111.588 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.38 175.1 5.81 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.175 0.99 . . . . 0.0 109.878 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.72 122.96 24.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.3 mt -128.67 105.83 13.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 -169.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -110.63 115.66 29.98 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 125.734 1.614 . . . . 0.0 108.353 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t30 41.3 34.62 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.221 1.808 . . . . 0.0 113.961 -171.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.1 m -120.57 158.81 26.53 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.081 0.953 . . . . 0.0 111.23 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -124.91 130.75 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -129.84 115.93 17.95 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.583 1.153 . . . . 0.0 108.053 -174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -142.33 164.46 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 50.54 74.81 0.2 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 127.732 2.413 . . . . 0.0 114.728 169.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m 50.13 41.58 23.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.257 1.823 . . . . 0.0 114.302 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -78.44 157.24 29.03 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 167.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.2 mt -139.25 96.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.4 t -87.68 143.88 26.94 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -137.99 122.95 19.0 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 45.31 23.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.322 2.649 . . . . 0.0 116.165 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -99.53 162.34 13.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.951 0.796 . . . . 0.0 110.997 -171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -110.64 129.49 55.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -117.31 136.98 52.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 m -141.59 115.46 9.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 44.09 43.52 5.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.842 2.057 . . . . 0.0 113.138 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.31 169.28 11.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.033 1.333 . . . . 0.0 112.222 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -131.08 140.61 50.07 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.108 0.963 . . . . 0.0 109.209 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.49 128.34 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -136.2 130.96 33.96 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.503 0.721 . . . . 0.0 109.509 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 35.76 48.85 0.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.664 1.986 . . . . 0.0 113.091 -176.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.8 m -128.32 155.87 43.96 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.41 136.15 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 -169.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -132.68 158.37 42.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 110.988 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -148.02 112.83 5.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 169.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 49.9 59.92 4.18 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 112.571 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 m -117.39 166.75 11.95 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.793 0.837 . . . . 0.0 110.582 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -131.13 122.31 26.45 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.7 mt -129.56 101.59 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -111.92 129.03 56.31 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 46.91 36.32 3.9 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.804 1.642 . . . . 0.0 113.306 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -121.73 166.79 13.78 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.513 0.725 . . . . 0.0 111.283 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -129.03 132.4 47.48 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.42 131.53 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -169.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -139.87 132.73 29.21 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt 49.25 27.37 1.84 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.324 1.05 . . . . 0.0 113.507 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -111.95 160.54 17.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.413 1.085 . . . . 0.0 111.231 -168.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 m -124.97 129.65 50.77 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.534 1.133 . . . . 0.0 108.103 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.47 126.02 43.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.048 0.939 . . . . 0.0 108.884 -174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -132.6 119.1 20.02 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.58 39.63 60.96 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.936 -0.925 . . . . 0.0 112.631 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -133.9 163.35 29.71 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.169 0.984 . . . . 0.0 112.54 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -120.27 136.7 54.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.201 1.0 . . . . 0.0 108.887 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -118.09 134.22 55.19 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 170.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -142.09 101.74 3.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.168 0.587 . . . . 0.0 109.568 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.32 43.83 68.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.997 -0.89 . . . . 0.0 112.896 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.77 163.69 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 118.902 1.351 . . . . 0.0 111.826 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -120.1 123.92 44.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.5 tt -136.92 132.07 47.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -136.97 133.54 35.71 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.835 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.6 m 52.33 32.46 11.07 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.914 1.285 . . . . 0.0 113.285 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -121.04 175.32 6.13 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.849 0.86 . . . . 0.0 112.053 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -137.72 138.58 39.48 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.205 1.002 . . . . 0.0 108.839 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 p -137.47 132.02 32.73 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.8 m -137.51 116.63 12.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.28 1.032 . . . . 0.0 108.687 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.03 53.59 45.17 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -139.73 159.49 42.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 117.888 0.844 . . . . 0.0 111.881 -169.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 m -130.75 128.56 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.67 130.87 64.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.2 m -136.92 153.92 50.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.432 1.093 . . . . 0.0 110.847 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.67 -108.93 2.27 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 107.347 -2.301 . . . . 0.0 107.347 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -58.54 154.54 38.77 Favored 'Cis proline' 0 C--N 1.348 0.534 0 CA-C-N 120.596 2.198 . . . . 0.0 112.837 -10.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.91 18.93 71.37 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 123.583 0.611 . . . . 0.0 111.935 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.36 148.54 49.52 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 173.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.8 m -143.25 127.03 17.13 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.7 mt -137.39 136.99 46.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 125.396 1.478 . . . . 0.0 107.189 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.3 m -139.03 141.74 38.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.115 0.566 . . . . 0.0 109.629 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 p 45.95 36.92 3.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.562 1.945 . . . . 0.0 114.132 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -112.29 160.94 17.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 110.351 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.2 m -128.18 135.89 50.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 mt -137.46 129.69 41.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 m -133.68 125.33 28.42 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 41.59 48.52 3.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.688 1.195 . . . . 0.0 112.173 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.531 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.05 -16.19 17.55 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-O 118.897 -0.946 . . . . 0.0 114.247 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.06 104.25 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 119.434 1.617 . . . . 0.0 107.361 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.04 149.37 43.25 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 p -63.83 144.43 98.0 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 122.87 0.468 . . . . 0.0 110.268 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 3.93 7.45 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.404 2.736 . . . . 0.0 113.71 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.8 141.93 56.35 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.421 1.088 . . . . 0.0 109.401 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.49 60.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.239 0.615 . . . . 0.0 112.439 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.16 72.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.591 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.3 t -71.49 123.84 23.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.215 0.916 . . . . 0.0 108.778 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -120.26 139.81 52.14 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.99 131.71 52.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 m -138.56 22.55 2.71 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.73 48.01 0.01 OUTLIER Glycine 0 N--CA 1.467 0.76 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.548 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.3 m -122.79 163.07 20.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.038 0.919 . . . . 0.0 112.618 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 m -128.26 141.82 51.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 169.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -147.91 166.84 26.44 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.544 0.611 . . . . 0.0 111.298 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.0 m -157.24 164.42 37.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.597 1.559 . . . . 0.0 108.96 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.87 155.89 38.28 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.756 0.422 . . . . 0.0 110.111 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.255 1.022 . . . . 0.0 108.468 169.425 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.65 -178.13 48.62 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -140.12 42.68 1.93 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.589 1.555 . . . . 0.0 108.209 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t -69.77 162.24 28.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.93 0.892 . . . . 0.0 111.746 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.89 73.9 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 103.253 -2.869 . . . . 0.0 103.253 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -75.06 117.09 16.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.033 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -83.92 -56.82 3.48 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -164.12 54.5 0.15 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.015 1.726 . . . . 0.0 107.35 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -123.66 169.1 11.82 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.293 1.437 . . . . 0.0 112.143 -168.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -126.41 133.73 51.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.957 1.303 . . . . 0.0 107.691 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -129.87 118.27 43.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 p -72.68 166.08 23.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.183 0.516 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -26.57 60.49 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.024 1.329 . . . . 0.0 114.394 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -115.3 3.72 14.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 111.96 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -78.53 168.76 19.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -140.11 151.11 45.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.1 t -134.62 118.02 16.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 t -130.54 120.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 50.3 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.492 2.317 . . . . 0.0 115.289 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 m -98.77 159.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.006 0.922 . . . . 0.0 110.956 -168.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -105.89 141.92 36.48 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.4 102.61 6.96 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -99.14 81.87 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 50.77 77.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.048 1.739 . . . . 0.0 111.947 -169.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -130.9 167.76 18.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.567 1.147 . . . . 0.0 109.928 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -134.41 114.97 13.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.6 mt -120.67 108.69 23.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -169.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.03 117.47 33.42 Favored 'General case' 0 CA--C 1.526 0.041 0 C-N-CA 126.388 1.875 . . . . 0.0 108.563 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 40.22 33.95 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.741 2.016 . . . . 0.0 114.638 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.4 m -117.09 154.73 30.5 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.228 -0.92 . . . . 0.0 111.587 -169.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -121.08 95.25 4.62 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -169.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.9 tp -95.57 121.53 37.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.052 1.341 . . . . 0.0 107.685 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.9 167.28 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 119.024 0.829 . . . . 0.0 112.487 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t0 53.81 61.71 2.96 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.787 2.035 . . . . 0.0 112.871 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 49.04 45.85 22.74 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -74.16 159.43 32.57 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.812 -1.922 . . . . 0.0 105.812 167.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.5 98.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.2 144.17 27.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -140.87 128.86 21.95 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 52.87 19.92 1.47 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.84 1.656 . . . . 0.0 114.62 173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 m -107.23 159.12 16.58 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.741 1.155 . . . . 0.0 113.3 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -106.38 126.74 52.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.918 1.687 . . . . 0.0 106.889 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.47 132.59 56.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 169.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.6 m -140.77 117.31 10.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 44.79 41.14 4.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.94 2.096 . . . . 0.0 113.101 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.87 171.75 8.68 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.059 1.344 . . . . 0.0 112.321 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -133.37 139.13 46.64 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.862 0.865 . . . . 0.0 108.776 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.77 127.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -132.33 127.64 36.01 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.798 0.839 . . . . 0.0 108.963 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttm 34.11 52.15 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.819 2.048 . . . . 0.0 112.656 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -127.98 160.1 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.33 136.1 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -133.42 151.89 51.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.366 0.53 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.5 m -138.9 113.24 8.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 169.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.03 65.76 1.33 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.371 1.868 . . . . 0.0 110.978 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.5 t -124.23 164.52 19.37 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.649 1.18 . . . . 0.0 109.615 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -127.35 129.09 46.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -124.15 100.18 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -109.89 128.03 55.09 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 51.02 26.45 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.803 1.641 . . . . 0.0 113.695 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -114.06 167.17 10.89 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.488 0.715 . . . . 0.0 111.499 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -126.75 127.39 44.99 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.42 132.04 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.037 0.935 . . . . 0.0 108.492 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.18 132.58 30.13 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.185 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt 48.06 32.43 2.93 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.31 0.959 . . . . 0.0 113.197 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -116.99 160.11 21.46 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.208 1.003 . . . . 0.0 110.54 -169.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.5 m -127.38 132.62 50.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 108.502 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -125.06 132.5 53.17 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.973 0.909 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -132.84 118.08 18.53 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.32 31.74 63.0 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 118.926 -0.93 . . . . 0.0 113.468 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.4 m -127.66 171.14 11.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.405 1.102 . . . . 0.0 111.121 -170.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -140.44 127.47 20.8 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.568 1.147 . . . . 0.0 107.948 -169.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -112.53 143.53 43.52 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.41 116.33 10.93 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.51 43.04 99.59 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 118.37 -1.239 . . . . 0.0 113.479 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.79 162.2 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 119.428 1.614 . . . . 0.0 111.198 -176.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -120.05 122.77 41.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.348 -2.464 . . . . 0.0 104.348 169.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -139.59 130.91 33.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 118.509 0.595 . . . . 0.0 109.525 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -131.53 146.56 52.28 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m 53.22 31.46 11.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.852 1.261 . . . . 0.0 113.17 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -123.15 175.14 6.82 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.715 0.689 . . . . 0.0 112.729 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -136.56 139.64 42.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.358 1.063 . . . . 0.0 108.437 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -135.6 131.85 36.36 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -134.33 126.08 28.93 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.629 0.772 . . . . 0.0 108.919 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.47 42.23 50.43 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 118.279 -1.29 . . . . 0.0 114.0 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -139.53 157.01 46.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.341 2.071 . . . . 0.0 111.544 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -114.62 137.93 51.29 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.38 123.15 26.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 -171.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 m -142.06 166.64 24.16 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 111.094 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.3 -84.76 0.06 OUTLIER Glycine 0 CA--C 1.532 1.101 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 169.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -61.93 165.35 36.41 Favored 'Cis proline' 0 CA--C 1.537 0.667 0 CA-C-N 120.293 2.047 . . . . 0.0 112.397 -10.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.54 7.72 64.73 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.095 0.855 . . . . 0.0 112.171 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.9 t -60.79 140.03 57.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -134.2 128.01 33.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -137.81 138.81 43.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 124.915 1.286 . . . . 0.0 107.597 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.9 m -140.53 144.44 35.95 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.649 0.379 . . . . 0.0 110.127 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 p 46.82 41.34 10.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.165 1.386 . . . . 0.0 113.757 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.8 t -125.38 164.18 20.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.256 1.023 . . . . 0.0 110.807 -170.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -126.17 137.17 53.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 169.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.66 129.63 61.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.7 m -131.96 120.58 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 41.0 46.79 2.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.394 1.478 . . . . 0.0 113.169 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.74 -0.6 86.66 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.736 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.8 t -107.99 109.57 28.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.02 146.45 45.91 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -64.23 143.88 98.37 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.279 0.632 . . . . 0.0 110.455 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.03 8.49 4.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.529 2.819 . . . . 0.0 113.839 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.47 140.29 58.01 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.193 0.997 . . . . 0.0 109.178 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.45 61.25 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.263 0.625 . . . . 0.0 112.577 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.14 70.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.423 0.556 . . . . 0.0 111.499 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.07 120.61 15.19 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -112.29 144.25 42.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.7 tt -149.61 152.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 124.184 0.994 . . . . 0.0 110.225 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -158.31 152.62 24.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.927 1.291 . . . . 0.0 109.468 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.82 36.67 50.6 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 125.758 1.647 . . . . 0.0 114.215 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.1 t -123.98 156.99 35.42 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.105 0.953 . . . . 0.0 112.757 -169.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -132.69 139.69 47.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.441 1.896 . . . . 0.0 106.872 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.53 149.31 45.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.72 0.808 . . . . 0.0 108.913 -171.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 m -147.0 157.22 43.55 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 110.258 -173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.34 138.8 43.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 C--O 1.247 0.946 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.502 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.956 0.408 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.39 23.24 0.96 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.836 1.208 . . . . 0.0 110.485 169.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 p -140.49 -16.62 0.91 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.137 0.969 . . . . 0.0 112.595 -169.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.67 152.0 32.07 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.656 1.117 . . . . 0.0 110.229 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.31 81.92 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -74.94 108.7 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -75.98 -58.03 3.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.775 0.43 . . . . 0.0 109.989 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -162.65 40.74 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.559 1.543 . . . . 0.0 109.318 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -113.86 170.21 8.43 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.478 1.911 . . . . 0.0 111.199 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -112.22 133.68 54.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 173.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 116.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 103.198 -2.89 . . . . 0.0 103.198 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.6 p -68.69 168.61 12.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 111.401 -172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.15 -27.06 52.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.568 1.147 . . . . 0.0 113.734 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -108.76 -5.79 16.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.166 0.587 . . . . 0.0 112.331 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -73.88 170.58 15.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -151.63 142.13 22.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.914 -1.116 . . . . 0.0 108.648 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.91 146.26 40.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -148.77 138.24 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -176.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 40.52 34.0 0.21 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.644 1.978 . . . . 0.0 115.349 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 m -138.03 166.05 25.07 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.231 1.812 . . . . 0.0 109.184 -171.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -126.27 136.56 52.93 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.06 126.24 42.71 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.73 86.97 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 47.37 55.28 8.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.473 1.909 . . . . 0.0 112.195 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -100.53 170.92 8.05 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.167 0.587 . . . . 0.0 109.417 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -134.05 113.52 12.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.1 mt -124.45 110.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -169.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.92 122.8 42.04 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.929 1.291 . . . . 0.0 109.023 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t30 41.02 36.85 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.769 2.028 . . . . 0.0 113.076 -169.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.6 m -127.69 170.09 13.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.908 0.883 . . . . 0.0 112.145 -169.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -131.91 140.4 49.04 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.835 -0.541 . . . . 0.0 111.734 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.71 96.4 3.81 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.803 1.641 . . . . 0.0 107.638 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 169.16 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 57.34 53.21 7.82 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.965 1.706 . . . . 0.0 112.353 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.371 2.4 m 52.32 49.62 20.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -174.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 m -78.68 157.0 28.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.3 131.88 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -130.21 138.68 50.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -139.04 126.39 21.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 44.19 38.34 2.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.633 1.973 . . . . 0.0 115.054 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -120.33 166.13 13.93 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.919 0.888 . . . . 0.0 111.492 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -119.04 125.91 50.46 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.703 1.601 . . . . 0.0 107.633 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -115.48 134.85 54.69 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 m -140.37 116.12 10.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 45.77 39.22 4.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.135 1.774 . . . . 0.0 113.357 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.79 170.85 11.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.589 1.556 . . . . 0.0 112.107 -169.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -138.01 139.35 39.59 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.945 -1.097 . . . . 0.0 109.802 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -136.25 129.91 47.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -174.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -133.42 127.99 34.55 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.251 1.02 . . . . 0.0 108.401 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 36.81 43.71 0.3 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.879 2.072 . . . . 0.0 114.005 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -122.39 155.26 36.44 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 121.327 -0.858 . . . . 0.0 109.344 -173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 113.74 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.254 1.3 m -129.02 134.17 48.03 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -168.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -136.06 126.36 26.55 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.862 1.265 . . . . 0.0 107.805 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 47.24 61.72 2.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.531 1.533 . . . . 0.0 112.601 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.6 m -127.1 165.3 19.79 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.846 -0.534 . . . . 0.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.05 112.17 12.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.9 mt -122.24 107.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -118.07 129.78 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.82 35.53 1.51 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.281 1.832 . . . . 0.0 114.209 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.7 m -119.78 165.16 14.91 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.646 0.778 . . . . 0.0 110.74 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -124.98 140.65 52.73 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.9 t -135.62 130.95 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.75 130.27 29.59 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp 48.49 27.69 1.5 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.003 1.721 . . . . 0.0 113.521 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -107.57 164.18 12.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.917 1.287 . . . . 0.0 110.6 -169.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 m -124.55 129.25 50.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.7 t -125.78 128.11 47.2 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.259 1.024 . . . . 0.0 108.317 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -137.0 120.16 16.69 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.73 39.81 62.34 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.228 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.0 m -135.57 169.62 17.23 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.842 -169.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -133.9 141.7 47.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -124.22 132.18 53.58 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.65 97.83 3.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.152 0.581 . . . . 0.0 109.691 -175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.9 46.89 63.75 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 118.929 -0.928 . . . . 0.0 112.339 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.96 167.54 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.67 1.235 . . . . 0.0 111.354 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -126.4 123.46 37.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -137.11 132.74 47.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -134.52 133.53 40.43 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.125 0.97 . . . . 0.0 109.319 -169.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m 51.02 31.48 6.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.329 1.452 . . . . 0.0 113.676 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -117.29 175.23 5.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.946 0.898 . . . . 0.0 111.538 -169.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -135.74 134.91 39.55 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.1 p -136.98 126.15 24.62 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.2 m -137.06 117.22 13.44 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.239 1.016 . . . . 0.0 108.769 -171.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.51 46.97 93.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 121.664 -0.648 . . . . 0.0 111.482 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.45 142.88 39.46 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.945 0.872 . . . . 0.0 110.152 -169.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -119.95 131.67 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -134.64 132.09 54.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -130.66 166.56 20.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.515 1.526 . . . . 0.0 110.767 -176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.84 -149.45 0.03 OUTLIER Glycine 0 CA--C 1.543 1.841 0 C-N-CA 127.858 2.647 . . . . 0.0 114.581 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.84 -15.28 29.66 Favored 'Cis proline' 0 C--N 1.351 0.677 0 CA-C-N 119.523 1.661 . . . . 0.0 115.44 10.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.1 35.35 1.77 Allowed Glycine 0 N--CA 1.467 0.724 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 -176.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 128.28 35.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 123.714 0.805 . . . . 0.0 110.878 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.7 m -139.07 123.74 18.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -136.04 133.23 50.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -137.93 137.24 37.8 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.686 0.794 . . . . 0.0 109.407 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.267 7.7 p 47.94 32.56 2.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.45 161.04 14.8 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 121.383 -0.823 . . . . 0.0 111.045 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.2 m -129.38 127.67 41.49 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 169.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 mt -136.82 128.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 -170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.2 m -137.38 134.94 36.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 44.72 44.51 7.6 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.917 1.287 . . . . 0.0 112.216 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.89 10.96 84.41 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 117.65 -1.639 . . . . 0.0 115.224 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.63 139.06 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 120.662 2.231 . . . . 0.0 110.361 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.24 155.41 23.69 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.719 0.808 . . . . 0.0 110.204 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 p -64.73 153.84 86.79 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.036 0.534 . . . . 0.0 110.015 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.58 12.15 2.68 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.531 2.82 . . . . 0.0 113.07 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.4 136.55 51.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.105 0.962 . . . . 0.0 109.548 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.34 -17.47 62.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.294 0.637 . . . . 0.0 112.223 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.39 67.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.171 0.588 . . . . 0.0 111.691 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.18 129.49 38.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.2 0.909 . . . . 0.0 108.961 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -129.33 126.41 38.88 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 171.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.7 tt -141.49 139.2 32.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 124.013 0.925 . . . . 0.0 109.325 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 m -149.09 145.6 27.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.781 1.232 . . . . 0.0 108.94 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.36 19.96 64.91 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.611 -1.105 . . . . 0.0 115.386 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.53 160.94 14.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 112.123 -174.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -138.31 131.58 30.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 169.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.46 162.92 37.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.95 0.796 . . . . 0.0 111.713 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m -148.92 163.49 37.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.119 1.768 . . . . 0.0 108.963 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.19 156.93 38.62 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.238 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.248 0.994 0 C-N-CA 124.363 1.065 . . . . 0.0 108.858 169.386 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t0 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.2 -5.85 63.5 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 118.869 -0.962 . . . . 0.0 113.284 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -63.71 150.39 44.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.392 1.596 . . . . 0.0 110.7 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 t -66.22 162.29 20.27 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.19 0.596 . . . . 0.0 109.448 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.72 82.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.006 -2.22 . . . . 0.0 105.006 170.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -103.82 129.89 51.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.604 0.761 . . . . 0.0 109.883 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -80.82 -63.73 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -155.76 13.52 0.34 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.203 1.801 . . . . 0.0 112.004 -170.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.3 m -65.91 160.44 23.38 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.383 1.073 . . . . 0.0 111.015 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -112.57 135.06 53.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.116 0.966 . . . . 0.0 109.261 173.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 120.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -70.4 168.43 16.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.199 0.523 . . . . 0.0 111.555 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.8 61.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.531 1.132 . . . . 0.0 113.759 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -111.07 1.59 17.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.523 0.729 . . . . 0.0 112.125 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.4 m -81.73 167.25 19.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -144.14 151.54 39.68 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.635 -0.666 . . . . 0.0 109.3 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -132.76 120.32 21.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 169.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -137.31 125.94 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -171.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? 38.71 38.73 0.28 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.736 2.015 . . . . 0.0 112.998 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -135.72 162.92 31.41 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.301 1.441 . . . . 0.0 108.704 -170.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -116.99 138.9 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -172.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.56 112.57 9.66 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -108.52 94.9 5.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.13 57.55 4.67 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.119 1.768 . . . . 0.0 112.495 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.432 ' H ' ' CB ' ' A' ' 9' ' ' SER . 23.8 m -102.1 173.6 6.31 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.735 1.214 . . . . 0.0 109.576 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -124.51 127.02 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -135.37 106.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.46 124.99 47.85 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.971 1.308 . . . . 0.0 108.357 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t30 39.19 30.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.304 2.241 . . . . 0.0 113.958 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.6 m -117.43 155.15 30.16 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.731 0.812 . . . . 0.0 111.418 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -124.32 118.82 27.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 -169.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -119.03 101.57 8.12 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.6 m -132.79 165.42 32.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.2 68.02 0.91 Allowed 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.375 1.87 . . . . 0.0 113.099 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.263 1.2 m 53.39 38.67 28.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.229 1.412 . . . . 0.0 114.185 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.3 m -76.89 155.08 33.12 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 167.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.2 129.77 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 105.515 -2.032 . . . . 0.0 105.515 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.05 149.92 50.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.42 0.554 . . . . 0.0 109.744 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.2 m -140.86 122.63 15.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 44.28 43.09 5.7 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.378 1.871 . . . . 0.0 112.82 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -122.85 164.41 18.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.931 0.892 . . . . 0.0 110.58 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -122.7 133.56 54.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.513 1.525 . . . . 0.0 108.289 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -128.24 135.33 49.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.974 1.31 . . . . 0.0 107.623 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 m -138.22 118.05 13.24 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t0 45.88 42.66 9.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.784 2.033 . . . . 0.0 113.589 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.69 166.05 15.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.074 1.35 . . . . 0.0 112.132 -169.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -128.19 142.27 51.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.791 0.836 . . . . 0.0 109.575 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.0 t -142.27 129.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -170.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -135.19 128.93 32.94 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 38.12 43.17 0.54 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.85 2.06 . . . . 0.0 114.005 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -119.94 153.36 36.04 Favored 'General case' 0 C--N 1.334 -0.108 0 O-C-N 121.717 -0.614 . . . . 0.0 109.35 -173.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.95 118.94 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -170.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -131.0 133.92 46.22 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -169.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 m -136.26 122.62 20.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 42.7 64.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.146 1.778 . . . . 0.0 112.978 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -124.65 165.39 17.99 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.122 0.569 . . . . 0.0 111.362 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -132.15 113.27 13.1 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.67 111.84 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.03 131.1 53.82 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.569 0.748 . . . . 0.0 109.335 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 mttm 44.31 37.17 1.85 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.172 1.789 . . . . 0.0 113.678 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -119.21 164.71 15.2 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.594 0.757 . . . . 0.0 110.349 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.35 135.66 53.5 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 174.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.36 128.26 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -169.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -137.5 129.38 28.82 Favored 'General case' 0 C--N 1.335 -0.06 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp 46.93 29.61 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.361 1.865 . . . . 0.0 113.592 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -108.06 162.92 13.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -123.04 131.25 53.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.956 1.302 . . . . 0.0 108.259 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.5 t -128.05 126.09 40.57 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.979 1.311 . . . . 0.0 108.034 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 m -137.31 119.13 15.17 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.12 43.62 50.43 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -135.09 170.99 15.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.039 1.335 . . . . 0.0 109.316 -169.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.14 146.64 40.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 121.127 -0.983 . . . . 0.0 108.394 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -124.43 132.86 53.51 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -139.62 99.89 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.9 66.58 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.725 -1.042 . . . . 0.0 112.567 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.69 165.76 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 118.967 1.384 . . . . 0.0 111.594 -176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -121.61 125.06 45.82 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -137.49 133.23 45.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -136.36 132.0 35.0 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.178 0.991 . . . . 0.0 109.209 -169.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m 51.12 30.94 6.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 113.584 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -116.77 174.11 6.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.754 0.821 . . . . 0.0 111.732 -169.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.3 m -133.46 138.33 46.13 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.88 1.272 . . . . 0.0 107.597 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 p -140.87 129.3 22.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.503 1.121 . . . . 0.0 108.001 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.12 117.22 10.57 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.765 1.226 . . . . 0.0 108.229 -172.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.12 99.73 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.447 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -136.19 104.6 5.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.363 1.081 . . . . 0.0 112.343 -168.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -84.46 128.09 34.39 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.2 mt -135.32 139.4 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.864 1.266 . . . . 0.0 107.772 -171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m -136.08 170.0 16.71 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.883 2.073 . . . . 0.0 110.126 -172.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.82 -147.84 0.03 OUTLIER Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.099 2.285 . . . . 0.0 114.221 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.22 -13.3 29.28 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.735 1.767 . . . . 0.0 115.141 10.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.68 44.47 0.68 Allowed Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -70.01 130.55 42.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.685 0.794 . . . . 0.0 111.254 -169.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -139.07 128.69 24.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.404 1.882 . . . . 0.0 106.166 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.4 mt -137.54 131.47 44.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -137.74 136.22 37.12 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.777 0.831 . . . . 0.0 109.539 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.27 8.0 p 47.33 32.03 2.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.705 2.002 . . . . 0.0 114.582 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 99.2 m -91.73 159.97 15.58 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.3 m -130.33 120.99 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.3 mt -132.0 131.52 61.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -169.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.0 m -135.62 130.67 34.76 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 45.56 42.37 8.0 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.027 1.331 . . . . 0.0 112.85 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.447 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 77.11 15.4 81.65 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.235 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.8 t -124.86 119.17 55.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.82 144.56 47.46 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.1 m -64.82 136.19 96.68 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.21 76.54 3.04 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.73 2.953 . . . . 0.0 110.284 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.39 36.65 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.109 1.364 . . . . 0.0 108.642 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.77 -20.03 65.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.578 0.751 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.4 -28.94 70.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.704 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.47 129.33 38.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 119.253 0.933 . . . . 0.0 109.17 175.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -129.01 125.77 38.07 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -141.01 140.27 32.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 124.125 0.97 . . . . 0.0 109.357 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 m -149.26 145.23 26.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.528 1.131 . . . . 0.0 109.138 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 60.9 20.64 57.71 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.058 1.313 . . . . 0.0 115.926 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.59 159.72 14.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.82 1.31 . . . . 0.0 112.282 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 m -133.17 149.86 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.62 162.52 40.85 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.477 1.035 . . . . 0.0 110.794 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.9 m -139.14 12.37 2.61 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.043 0.937 . . . . 0.0 112.584 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 50.58 -144.15 0.56 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.611 1.164 . . . . 0.0 110.936 -176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.248 0.974 0 C-N-CA 127.468 2.307 . . . . 0.0 106.214 169.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -83.58 128.01 34.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.32 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 p -80.59 -61.31 2.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.535 0.734 . . . . 0.0 109.488 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -156.58 8.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.01 1.724 . . . . 0.0 113.467 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 167.52 16.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.91 1.284 . . . . 0.0 111.5 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -102.73 135.68 43.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.32 118.07 22.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.5 p -69.98 168.59 15.06 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.171 0.51 . . . . 0.0 111.202 -174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.75 -26.5 45.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.725 1.21 . . . . 0.0 113.749 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -111.46 -4.3 14.89 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.352 0.661 . . . . 0.0 112.434 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.1 m -73.96 171.84 12.72 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -150.87 146.36 26.27 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.27 -0.894 . . . . 0.0 109.71 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 p -134.78 141.33 46.42 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.675 0.79 . . . . 0.0 109.603 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -147.23 128.89 6.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 pttt 34.22 47.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.485 2.314 . . . . 0.0 113.407 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -141.61 156.73 45.66 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.904 1.282 . . . . 0.0 108.937 -173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -116.51 143.71 45.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.787 0.835 . . . . 0.0 109.165 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 127.96 24.28 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 m -123.85 101.12 7.1 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.378 1.071 . . . . 0.0 109.411 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 51.52 35.75 15.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.204 1.401 . . . . 0.0 112.776 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 m -83.62 170.09 14.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.103 -0.998 . . . . 0.0 109.097 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.64 100.23 4.57 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mm -110.98 109.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -119.8 123.32 43.39 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.663 1.185 . . . . 0.0 108.941 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.88 35.49 0.23 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.788 2.035 . . . . 0.0 113.419 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -124.02 167.26 14.42 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.655 0.782 . . . . 0.0 112.831 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -127.34 124.09 37.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.387 1.075 . . . . 0.0 108.177 -169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.99 95.44 4.66 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.27 162.77 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 50.66 74.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.795 2.038 . . . . 0.0 113.275 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.2 m 50.95 37.71 18.26 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.42 1.888 . . . . 0.0 114.031 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 m -76.3 152.9 36.3 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.4 mt -138.77 128.76 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.53 149.65 50.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -143.03 121.43 12.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 41.27 38.18 0.74 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.895 2.078 . . . . 0.0 114.544 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -112.98 155.65 24.42 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.555 0.742 . . . . 0.0 110.641 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -106.6 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.503 1.521 . . . . 0.0 107.091 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -117.43 135.15 54.09 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.8 m -140.11 115.86 10.21 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 46.88 39.37 7.36 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.079 1.751 . . . . 0.0 113.271 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.06 167.23 14.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.088 1.355 . . . . 0.0 112.29 -169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -129.64 139.16 51.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 124.246 1.018 . . . . 0.0 109.131 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.46 135.6 46.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.85 133.0 41.04 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.382 1.073 . . . . 0.0 108.504 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttt 39.72 33.84 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.762 2.425 . . . . 0.0 115.626 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -110.11 161.49 15.5 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.474 -0.766 . . . . 0.0 109.318 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.88 116.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.74 -2.318 . . . . 0.0 104.74 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.268 1.5 m -130.39 133.7 46.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -168.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 m -136.3 128.39 29.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.299 1.04 . . . . 0.0 108.491 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 50.33 44.57 26.57 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.206 1.802 . . . . 0.0 113.248 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.49 167.53 10.24 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.55 -0.719 . . . . 0.0 111.165 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -132.22 111.68 11.61 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.0 mt -122.07 104.66 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 -169.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -115.74 128.75 56.1 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.6 36.97 1.93 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 113.8 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m -118.91 167.31 11.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.712 . . . . 0.0 111.187 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.87 130.06 46.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.051 1.741 . . . . 0.0 106.555 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.11 134.16 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -137.98 127.31 24.66 Favored 'General case' 0 C--O 1.23 0.052 0 C-N-CA 123.227 0.611 . . . . 0.0 109.403 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.02 43.6 1.32 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.49 1.916 . . . . 0.0 114.011 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -115.21 161.93 17.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.068 1.347 . . . . 0.0 109.381 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -122.38 95.87 4.81 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 t -91.74 127.99 37.41 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m -134.95 114.34 12.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.18 32.16 56.86 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.91 -0.939 . . . . 0.0 113.197 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -124.05 164.99 18.26 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.332 1.066 . . . . 0.0 111.907 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -120.21 136.09 54.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -119.91 131.65 55.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.63 103.0 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.59 43.67 85.01 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.734 -1.037 . . . . 0.0 112.751 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pt -124.44 166.42 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.089 1.444 . . . . 0.0 111.768 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -124.69 123.38 39.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.8 tt -139.27 134.04 40.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 118.778 0.717 . . . . 0.0 109.221 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -136.61 144.64 44.19 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 51.62 32.58 9.36 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.509 1.523 . . . . 0.0 113.332 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -120.2 174.39 6.53 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.75 0.82 . . . . 0.0 111.75 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -137.16 137.43 39.18 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.833 1.253 . . . . 0.0 107.639 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -139.84 128.6 23.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.9 m -133.24 108.94 9.08 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.681 0.792 . . . . 0.0 109.243 -169.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 40.68 96.89 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.398 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 103' ' ' GLY . 76.0 p -116.03 167.26 11.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.055 1.428 . . . . 0.0 111.464 -172.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.6 m -137.12 123.56 20.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.3 mt -130.4 126.14 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -168.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 124.628 1.171 . . . . 0.0 110.659 -176.068 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.2 t . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.7 m -135.54 129.05 32.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -137.66 135.63 46.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 m -136.87 135.68 38.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.502 0.721 . . . . 0.0 109.196 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.7 p 48.84 39.31 13.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.8 m -105.4 160.35 15.21 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.169 0.988 . . . . 0.0 111.285 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 84.7 m -126.85 128.07 45.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.16 132.4 46.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -133.88 126.29 30.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 39.38 48.14 1.64 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.685 1.594 . . . . 0.0 113.601 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 86' ' ' THR . . . 89.05 -2.83 84.28 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.514 -1.159 . . . . 0.0 114.136 173.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -111.94 116.75 53.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 119.382 1.591 . . . . 0.0 107.533 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 123.353 0.661 . . . . 0.0 109.962 173.319 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.17 118.34 16.0 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -111.78 142.54 44.01 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.8 138.83 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -142.52 144.75 33.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.614 1.166 . . . . 0.0 108.458 170.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.1 51.24 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.813 1.197 . . . . 0.0 114.682 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.8 t -119.07 162.16 19.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.906 1.353 . . . . 0.0 112.442 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.6 m -131.11 140.97 50.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 126.355 1.862 . . . . 0.0 107.303 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.1 mt -118.44 150.64 39.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.631 1.172 . . . . 0.0 108.164 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 p -154.2 160.34 41.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.147 0.979 . . . . 0.0 109.254 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.72 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 171.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.348 169.821 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -132.92 136.03 45.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.251 0.478 . . . . 0.0 110.317 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 m -126.06 96.94 4.9 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.328 1.851 . . . . 0.0 106.356 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t30 55.87 16.37 2.06 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.14 2.176 . . . . 0.0 116.254 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -74.21 159.6 32.29 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.41 -1.431 . . . . 0.0 110.321 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -111.92 134.25 53.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.88 115.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 p -70.77 170.62 12.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.498 0.666 . . . . 0.0 111.884 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -28.69 66.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.434 1.093 . . . . 0.0 113.804 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -111.72 31.17 6.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.036 0.934 . . . . 0.0 110.977 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -128.11 155.72 43.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.186 1.394 . . . . 0.0 109.096 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -148.54 153.67 38.72 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.543 0.737 . . . . 0.0 109.362 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -125.39 49.01 1.95 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.43 1.492 . . . . 0.0 109.692 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.19 112.51 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.966 1.706 . . . . 0.0 110.776 -169.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 59.99 -22.02 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.805 2.842 . . . . 0.0 114.838 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 m -60.54 155.34 18.79 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 125.398 1.479 . . . . 0.0 112.622 -174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.8 m -94.45 145.07 25.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.06 124.67 16.83 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 m -124.19 111.99 16.53 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.76 43.28 2.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.911 2.485 . . . . 0.0 113.471 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 170.92 10.69 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.481 0.713 . . . . 0.0 109.405 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -134.17 116.33 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.4 mt -124.3 108.34 20.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -169.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.01 115.2 27.24 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.799 1.639 . . . . 0.0 108.591 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t30 44.15 34.52 1.0 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.969 1.708 . . . . 0.0 113.606 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -126.05 156.35 40.08 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.225 1.01 . . . . 0.0 111.217 -169.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -129.76 134.56 47.67 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.67 93.25 3.29 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 -170.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.88 176.27 3.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -167.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.4 t0 56.99 49.54 13.72 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.167 1.787 . . . . 0.0 111.594 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 57.24 44.8 21.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.673 1.189 . . . . 0.0 112.793 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -71.64 176.81 4.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 168.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.56 136.45 35.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.451 -0.781 . . . . 0.0 109.046 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.24 144.06 47.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -139.93 104.3 4.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 51.84 49.57 20.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.712 1.605 . . . . 0.0 111.439 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.4 m -124.75 154.4 40.95 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.945 0.898 . . . . 0.0 111.005 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -107.54 141.13 39.46 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.036 1.734 . . . . 0.0 108.326 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -138.39 129.66 27.32 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.43 114.52 8.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.6 t70 46.04 38.18 4.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.618 1.967 . . . . 0.0 113.939 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.59 16.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.347 1.459 . . . . 0.0 111.709 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -128.58 140.67 51.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 123.916 0.886 . . . . 0.0 109.018 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.0 136.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -137.7 129.64 28.77 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt 37.22 48.34 0.77 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.213 2.205 . . . . 0.0 113.239 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.5 m -119.11 168.28 11.0 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.363 -0.835 . . . . 0.0 109.351 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.5 130.55 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -134.71 156.51 48.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.598 1.09 . . . . 0.0 113.229 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.7 m -148.46 113.01 5.33 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 51.17 74.94 0.21 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.0 1.72 . . . . 0.0 112.012 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.7 t -124.05 158.66 31.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.15 0.98 . . . . 0.0 109.292 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -135.47 119.62 17.67 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.14 104.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.403 -1.702 . . . . 0.0 106.403 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.21 126.87 54.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 52.09 19.99 1.18 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.168 1.787 . . . . 0.0 114.555 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.2 m -106.44 166.2 10.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.588 0.755 . . . . 0.0 111.074 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -128.42 120.81 27.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -127.5 135.51 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.845 0.858 . . . . 0.0 108.806 -168.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -140.31 127.28 20.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -174.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 mp 48.28 28.65 1.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.592 1.557 . . . . 0.0 113.952 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -107.96 160.56 15.68 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.325 1.05 . . . . 0.0 110.269 -169.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.2 m -123.88 128.71 49.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.685 1.194 . . . . 0.0 108.197 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.2 t -124.11 121.48 35.26 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.269 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.2 m -131.64 112.16 12.33 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.15 34.28 58.49 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.447 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.2 m -128.78 174.55 9.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.313 1.056 . . . . 0.0 111.686 -169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -148.33 138.71 22.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.478 -0.764 . . . . 0.0 109.938 -169.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -125.37 139.05 54.01 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.835 1.254 . . . . 0.0 107.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.22 115.07 11.39 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.054 0.941 . . . . 0.0 108.956 173.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.57 44.73 95.36 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.579 1.085 . . . . 0.0 113.705 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 159.87 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 118.933 1.367 . . . . 0.0 111.475 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.56 124.9 53.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.14 132.19 42.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 119.603 1.092 . . . . 0.0 108.914 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -132.76 132.79 42.65 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -169.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 50.26 32.06 5.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.789 1.235 . . . . 0.0 113.542 169.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -116.08 172.86 6.9 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.755 0.822 . . . . 0.0 111.443 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 m -134.92 134.05 40.23 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 p -134.46 128.87 34.31 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 m -132.17 124.62 29.42 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 108.995 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.31 37.55 48.01 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.104 -1.387 . . . . 0.0 113.676 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -135.75 155.22 50.72 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.067 1.933 . . . . 0.0 111.039 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -116.21 144.34 44.33 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mt -138.0 129.46 38.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.235 0.305 0 C-N-CA 124.167 0.987 . . . . 0.0 109.848 -174.318 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -139.1 130.27 26.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 mt -138.16 139.46 42.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 125.043 1.337 . . . . 0.0 107.432 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.0 m -141.13 143.92 34.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.0 p 46.52 34.92 2.59 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.868 2.067 . . . . 0.0 114.243 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.7 t -108.88 163.27 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.962 0.905 . . . . 0.0 110.704 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 m -126.07 133.54 51.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.88 130.99 41.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 m -133.71 125.04 27.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 40.99 51.15 3.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.485 1.514 . . . . 0.0 113.454 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.77 4.2 87.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.449 -1.195 . . . . 0.0 113.74 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.3 t -123.97 117.79 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 119.401 1.6 . . . . 0.0 108.025 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.358 0 C-N-CA 123.575 0.75 . . . . 0.0 110.118 172.372 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.57 126.23 29.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 118.929 0.786 . . . . 0.0 109.133 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 136.0 54.43 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 169.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.55 135.6 26.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 m -145.48 132.13 19.92 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.842 1.257 . . . . 0.0 108.768 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.88 25.57 73.15 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 119.04 -0.866 . . . . 0.0 114.086 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.1 m -110.37 162.56 14.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.599 1.199 . . . . 0.0 112.084 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 m -129.15 145.68 51.25 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.442 1.897 . . . . 0.0 106.511 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.12 146.93 50.95 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.624 1.17 . . . . 0.0 108.836 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -147.39 148.55 31.44 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 108.72 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.42 140.9 55.81 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 60.3 tpp . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.5 116.07 17.78 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -79.07 -57.85 3.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.804 0.841 . . . . 0.0 110.1 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -162.04 34.28 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.07 1.348 . . . . 0.0 110.639 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 m -103.79 163.99 11.98 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.71 1.604 . . . . 0.0 110.436 -170.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.24 132.16 55.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -128.33 122.58 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -71.13 166.65 21.0 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.965 0.802 . . . . 0.0 110.923 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -26.34 57.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 0.0 113.729 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.47 -2.49 15.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.623 0.769 . . . . 0.0 112.275 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -72.17 172.18 10.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 109.965 169.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -135.91 143.76 45.15 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.953 1.301 . . . . 0.0 107.792 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.21 110.98 6.5 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 104.414 -2.439 . . . . 0.0 104.414 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.97 124.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt 60.37 -22.41 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.468 2.707 . . . . 0.0 115.559 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -60.97 174.69 0.59 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.96 1.704 . . . . 0.0 113.233 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -118.77 144.36 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.29 128.93 22.96 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.67 88.51 2.9 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -172.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 46.67 51.77 11.85 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.572 1.949 . . . . 0.0 112.708 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.92 171.56 9.21 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -134.65 110.38 9.25 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -116.34 109.11 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -170.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -119.43 119.95 35.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.854 1.262 . . . . 0.0 108.36 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t30 39.53 38.01 0.35 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.695 1.998 . . . . 0.0 113.06 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -125.07 163.58 22.08 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 123.908 0.883 . . . . 0.0 111.855 -169.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -125.83 93.27 3.79 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.058 0.943 . . . . 0.0 108.504 -170.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.4 tp -87.64 87.78 7.48 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.87 175.11 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -168.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.8 66.61 0.79 Allowed 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.924 2.489 . . . . 0.0 112.657 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.59 38.79 30.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 170.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -73.21 172.79 10.47 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.5 tt -142.1 145.03 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 O-C-N 121.028 -1.045 . . . . 0.0 110.139 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.2 p -136.42 152.43 50.59 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.928 0.491 . . . . 0.0 109.854 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -141.58 106.31 4.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.3 ttp85 46.38 39.12 6.03 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.536 1.535 . . . . 0.0 113.138 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -102.74 160.0 14.98 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.127 0.571 . . . . 0.0 109.865 172.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -114.83 132.57 56.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 125.694 1.597 . . . . 0.0 107.297 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 48' ' ' VAL . 64.3 m-85 -123.48 132.01 53.8 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -137.06 116.06 12.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 46.54 42.4 11.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.561 1.944 . . . . 0.0 112.654 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.96 169.88 12.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.64 1.576 . . . . 0.0 112.398 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -133.03 143.98 49.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.23 1.012 . . . . 0.0 109.317 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 43' ' ' TYR . 1.8 t -141.2 131.64 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.854 1.262 . . . . 0.0 108.004 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -139.24 117.27 11.74 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 34.87 52.72 0.61 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.466 1.906 . . . . 0.0 113.093 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -123.0 164.76 17.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.89 134.35 66.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t -145.17 146.25 31.68 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.306 -0.957 . . . . 0.0 112.803 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.4 m -136.86 128.81 29.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.759 1.223 . . . . 0.0 107.732 169.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.4 t0 46.35 59.2 3.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.491 1.916 . . . . 0.0 112.823 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.34 161.09 28.63 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.61 1.164 . . . . 0.0 108.603 -171.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -128.93 129.61 45.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.77 112.67 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.91 127.51 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.941 0.896 . . . . 0.0 108.958 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 43.54 43.94 4.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.5 1.52 . . . . 0.0 113.269 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -127.24 165.77 19.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.749 0.82 . . . . 0.0 110.256 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -125.7 136.76 53.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.74 130.22 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -168.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -138.95 131.9 29.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.206 1.003 . . . . 0.0 108.629 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt 47.12 25.53 0.53 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.009 1.324 . . . . 0.0 114.093 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.161 0.984 . . . . 0.0 110.778 -169.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 128.5 46.11 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.739 1.216 . . . . 0.0 108.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 71' ' ' SER . 42.3 t -120.36 134.82 55.2 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.999 0.92 . . . . 0.0 109.609 176.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 m -134.79 121.92 21.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.24 35.3 64.74 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.832 -0.982 . . . . 0.0 113.797 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 50.7 m -131.49 174.52 10.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.555 1.177 . . . . 0.0 111.321 -170.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.36 130.63 35.26 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -169.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -121.64 132.49 54.69 Favored 'General case' 0 N--CA 1.46 0.059 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.77 124.93 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 170.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.26 39.54 97.35 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.852 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 161.96 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.843 1.321 . . . . 0.0 111.658 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -124.36 117.07 23.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.053 -2.943 . . . . 0.0 103.053 169.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -132.12 131.22 61.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -172.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -133.26 130.89 39.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.746 0.818 . . . . 0.0 108.915 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m 52.41 32.53 11.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.731 1.213 . . . . 0.0 113.388 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -119.67 174.49 6.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.947 0.899 . . . . 0.0 111.36 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -135.79 140.02 43.95 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -133.37 140.75 47.55 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.0 m -144.92 125.94 14.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.37 47.21 56.88 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-O 119.051 -0.861 . . . . 0.0 112.653 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 t -144.49 166.02 26.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.913 1.857 . . . . 0.0 110.166 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.1 m -129.72 133.35 46.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.8 mm -127.53 136.11 61.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 105.709 -1.959 . . . . 0.0 105.709 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.237 0.443 0 C-N-CA 124.422 1.089 . . . . 0.0 110.34 -171.28 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.9 m -139.99 127.55 21.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.654 1.582 . . . . 0.0 107.334 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.9 mt -138.25 134.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.411 1.485 . . . . 0.0 107.233 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.5 m -139.02 138.32 37.1 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.771 0.828 . . . . 0.0 109.755 171.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.269 6.1 p 46.93 36.56 4.1 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.621 1.968 . . . . 0.0 114.5 174.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 89.7 m -100.52 162.74 12.73 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.161 0.985 . . . . 0.0 110.937 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.5 m -129.5 131.35 46.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 168.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -135.15 125.56 44.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.7 m -134.74 127.35 30.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 43.95 46.62 6.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.407 1.083 . . . . 0.0 112.136 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.84 81.02 Favored Glycine 0 CA--C 1.529 0.969 0 CA-C-O 118.797 -1.002 . . . . 0.0 113.883 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -123.91 114.69 42.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 170.457 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 118.975 -0.536 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -74.34 130.68 40.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 119.257 0.935 . . . . 0.0 108.942 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.23 130.57 44.78 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -142.51 146.43 22.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 124.401 1.081 . . . . 0.0 108.857 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.8 m -157.69 147.74 20.47 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.497 1.119 . . . . 0.0 109.341 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.27 70.05 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.039 -0.867 . . . . 0.0 114.288 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.8 m -110.2 158.55 18.24 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.723 1.262 . . . . 0.0 111.785 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.9 m -132.9 140.46 47.89 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 104.699 -2.334 . . . . 0.0 104.699 169.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -147.27 163.78 35.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.935 0.789 . . . . 0.0 112.002 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -150.38 161.14 43.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.585 1.554 . . . . 0.0 109.774 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.04 143.74 35.33 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 C--O 1.248 1.002 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 169.153 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -73.56 112.69 9.89 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -82.07 -56.51 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -163.0 53.05 0.18 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.854 1.662 . . . . 0.0 107.652 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -119.97 166.31 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.711 1.604 . . . . 0.0 111.89 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -126.95 137.85 53.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.984 1.314 . . . . 0.0 108.139 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -135.76 116.4 18.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -69.07 164.34 22.68 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.258 0.552 . . . . 0.0 111.058 -177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.38 59.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -112.12 -1.67 15.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.454 0.702 . . . . 0.0 112.222 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.9 m -73.29 172.78 10.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.366 0.666 . . . . 0.0 110.286 169.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -140.11 147.21 39.89 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -134.83 128.94 33.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -141.4 125.69 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt 34.19 50.79 0.39 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.48 2.312 . . . . 0.0 113.724 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -134.38 171.34 14.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.003 1.321 . . . . 0.0 108.576 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -124.58 136.5 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 107.48 8.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -99.56 75.68 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.19 78.1 0.24 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 125.342 1.457 . . . . 0.0 110.73 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.6 m -123.08 167.48 13.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.683 0.793 . . . . 0.0 109.056 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -132.03 135.46 46.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG23 ' HB2' ' A' ' 30' ' ' SER . 32.9 mt -137.13 107.41 5.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -169.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.45 114.07 26.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 126.153 1.781 . . . . 0.0 108.17 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t30 40.59 40.21 0.87 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.084 1.754 . . . . 0.0 113.664 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.452 ' HB2' HG23 ' A' ' 27' ' ' ILE . 71.7 m -125.67 167.74 14.7 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.204 1.001 . . . . 0.0 111.646 -169.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -129.81 115.81 17.81 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 tp -116.45 97.93 6.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -127.33 165.49 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 37.5 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 128.227 2.611 . . . . 0.0 114.638 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m 51.22 30.55 5.88 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.498 1.519 . . . . 0.0 113.195 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -74.24 144.97 44.45 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.9 120.17 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.06 -2.57 . . . . 0.0 104.06 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -128.03 155.05 44.94 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -144.78 132.46 21.07 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 50.81 25.31 2.08 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.772 1.629 . . . . 0.0 113.807 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -111.22 162.48 14.92 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.151 -0.968 . . . . 0.0 112.846 -169.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.99 137.81 54.24 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.832 1.653 . . . . 0.0 107.739 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.26 127.55 33.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 m -134.35 120.42 19.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 43.57 41.39 3.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.594 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.14 164.08 18.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.082 1.353 . . . . 0.0 112.164 -169.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -125.05 141.51 52.08 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.516 1.126 . . . . 0.0 108.421 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.56 133.36 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -139.4 135.88 34.13 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.508 1.123 . . . . 0.0 108.272 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 39.02 36.8 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.54 1.936 . . . . 0.0 115.026 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 p -68.13 162.69 24.19 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.944 -1.098 . . . . 0.0 111.843 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.41 84.06 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 102.436 -3.172 . . . . 0.0 102.436 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.269 1.3 m -118.47 138.2 52.65 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 123.61 0.764 . . . . 0.0 109.805 -167.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -136.65 126.24 25.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.1 t70 49.56 50.05 18.89 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.446 1.898 . . . . 0.0 113.285 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.83 163.6 15.93 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 121.576 -0.702 . . . . 0.0 111.566 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -131.28 106.3 8.21 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -120.12 118.27 56.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -168.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -126.93 132.42 50.87 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.745 0.818 . . . . 0.0 109.572 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt 48.03 31.08 2.28 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.933 1.693 . . . . 0.0 113.685 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -116.37 168.63 9.97 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.428 0.691 . . . . 0.0 111.659 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.58 126.44 40.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.45 129.64 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -169.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.52 123.7 21.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.44 31.32 2.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.218 1.807 . . . . 0.0 113.343 174.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -109.72 152.31 25.8 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.403 1.081 . . . . 0.0 110.073 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.9 m -110.73 136.49 49.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.317 1.447 . . . . 0.0 107.907 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 33.2 t -136.57 133.25 36.19 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 m -137.65 115.57 11.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.38 38.71 63.06 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.779 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -130.99 169.75 15.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.241 1.021 . . . . 0.0 111.623 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.59 140.14 51.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -119.9 140.36 50.99 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 170.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -138.83 117.38 12.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 170.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 44.15 98.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.678 -1.068 . . . . 0.0 113.253 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.93 163.58 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 118.904 1.352 . . . . 0.0 111.089 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -129.37 113.57 15.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.843 -2.651 . . . . 0.0 103.843 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -133.25 134.93 57.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.634 0.652 . . . . 0.0 109.892 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -132.77 134.57 44.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.214 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 49.22 33.42 5.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.895 1.278 . . . . 0.0 113.775 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -116.93 175.49 5.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.734 0.814 . . . . 0.0 111.587 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -134.19 141.55 47.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.535 1.134 . . . . 0.0 108.405 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -139.0 143.21 38.38 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.037 1.335 . . . . 0.0 107.61 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.3 m -153.16 120.06 5.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.228 1.011 . . . . 0.0 109.047 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.49 41.43 88.54 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.654 0.645 . . . . 0.0 111.595 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.44 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -122.12 162.67 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.958 1.303 . . . . 0.0 111.906 -169.084 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 m -136.61 123.53 21.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 168.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -122.81 127.23 74.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 123.7 0.8 . . . . 0.0 109.9 -173.59 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -137.34 126.12 23.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.49 1.516 . . . . 0.0 107.257 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.0 mt -137.82 136.02 45.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -136.38 143.53 44.08 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p 43.82 43.14 4.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.471 1.908 . . . . 0.0 113.794 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.5 t -117.49 165.52 13.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.148 0.979 . . . . 0.0 110.393 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.2 m -129.24 131.21 47.0 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.1 mt -133.94 142.66 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.0 m -147.89 136.45 21.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 37.5 50.06 1.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.756 1.623 . . . . 0.0 113.419 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 78.78 6.03 88.51 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.315 -1.269 . . . . 0.0 114.546 173.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.88 122.99 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.565 1.682 . . . . 0.0 107.573 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.242 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 118.723 -0.656 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.81 128.73 36.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.952 0.797 . . . . 0.0 108.904 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -132.97 135.12 45.31 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 tt -145.18 147.7 18.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 124.561 1.144 . . . . 0.0 109.099 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.2 m -158.61 146.88 18.38 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.751 1.221 . . . . 0.0 109.464 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.53 72.19 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.156 -0.802 . . . . 0.0 114.076 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.08 160.48 18.12 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.519 1.16 . . . . 0.0 112.035 -171.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 m -130.52 142.12 50.48 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.848 2.059 . . . . 0.0 105.797 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.5 mt -128.74 139.17 52.34 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.7 m -143.13 153.38 42.83 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.589 1.156 . . . . 0.0 108.803 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.08 143.74 43.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.868 -1.063 . . . . 0.0 108.583 171.275 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.86 98.42 2.98 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -66.42 -55.5 15.47 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -170.25 81.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.031 1.732 . . . . 0.0 107.937 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -145.36 168.59 20.13 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.371 1.468 . . . . 0.0 110.234 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -121.42 134.41 55.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.043 1.337 . . . . 0.0 108.2 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mt -130.74 119.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -69.96 164.89 22.9 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.293 0.568 . . . . 0.0 111.367 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -26.98 58.36 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.968 1.307 . . . . 0.0 114.304 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -113.8 1.18 14.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.59 0.756 . . . . 0.0 112.207 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -74.37 174.8 8.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.089 0.556 . . . . 0.0 109.787 169.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -142.51 144.02 32.79 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.2 t -138.95 106.66 5.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.01 131.63 71.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 118.899 0.772 . . . . 0.0 109.347 -169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt 36.04 43.37 0.2 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.477 2.311 . . . . 0.0 114.262 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 m -135.31 173.76 11.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.399 1.48 . . . . 0.0 108.33 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 m -113.1 144.37 42.75 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.73 117.78 10.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.658 0.663 . . . . 0.0 109.864 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.1 m -128.61 121.91 29.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 110.197 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.88 54.87 9.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.375 1.87 . . . . 0.0 111.153 -175.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.3 m -126.76 163.03 24.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.317 0.579 . . . . 0.0 111.745 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -137.7 118.34 13.98 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 30' ' ' SER . 4.5 mp -123.37 105.75 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -170.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.77 116.86 31.4 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 126.125 1.77 . . . . 0.0 108.467 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.82 35.6 0.23 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.309 1.844 . . . . 0.0 114.299 -171.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 27' ' ' ILE . 72.2 m -119.72 161.21 21.11 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.293 1.037 . . . . 0.0 111.697 -169.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -126.61 100.29 6.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.469 1.107 . . . . 0.0 108.368 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.54 121.85 37.66 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.12 160.7 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 118.883 0.765 . . . . 0.0 112.387 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.43 77.82 0.1 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 127.75 2.42 . . . . 0.0 114.556 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.57 36.96 18.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.895 1.678 . . . . 0.0 113.742 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -79.06 171.36 15.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 tt -141.19 131.81 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.3 t -107.31 131.01 54.69 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.49 120.06 16.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 52.28 31.22 8.99 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.792 1.237 . . . . 0.0 112.527 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -120.81 166.21 14.08 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.796 0.807 . . . . 0.0 112.048 -169.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -126.7 132.07 51.23 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.911 1.285 . . . . 0.0 108.377 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -122.41 134.71 54.61 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 m -139.27 117.6 11.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 108.191 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.13 41.32 2.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.75 2.02 . . . . 0.0 113.248 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 168.26 14.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.045 1.338 . . . . 0.0 111.828 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -132.47 139.06 47.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.49 0.716 . . . . 0.0 109.8 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -135.96 126.59 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -135.63 124.23 23.66 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -169.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 34.92 48.52 0.33 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.716 2.007 . . . . 0.0 113.141 -172.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -125.57 158.86 33.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.9 t -117.63 133.01 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 -170.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 147.42 52.15 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.215 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -145.73 114.1 6.68 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.15 71.9 0.4 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.231 1.413 . . . . 0.0 111.769 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.26 154.87 44.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 109.035 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -135.78 112.39 10.05 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.2 mt -121.18 110.92 29.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -169.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -117.97 127.9 54.28 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 50.16 35.78 10.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.688 1.595 . . . . 0.0 113.342 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -123.63 164.95 18.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.627 0.771 . . . . 0.0 111.129 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -126.55 133.13 51.18 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.82 129.63 51.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 108.529 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -135.46 131.61 36.37 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.297 0.639 . . . . 0.0 109.624 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp 45.59 37.28 3.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.384 1.474 . . . . 0.0 112.85 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -118.82 159.73 23.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.45 1.1 . . . . 0.0 110.466 -169.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -126.47 106.65 9.61 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.708 1.203 . . . . 0.0 108.467 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.7 123.06 40.28 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.19 0.996 . . . . 0.0 108.808 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 m -132.63 116.17 16.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.03 42.31 39.11 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 m -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.529 1.132 . . . . 0.0 109.274 -169.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -138.37 145.33 40.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -128.17 124.28 36.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -136.51 99.37 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.24 47.27 65.0 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 118.815 -0.992 . . . . 0.0 112.246 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.09 166.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.684 1.242 . . . . 0.0 111.804 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -123.8 127.19 47.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.7 tt -141.39 133.68 29.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 118.617 0.644 . . . . 0.0 109.55 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -134.33 148.25 50.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m 52.62 29.94 7.96 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.114 1.366 . . . . 0.0 113.316 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -122.16 172.83 7.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.896 0.771 . . . . 0.0 112.653 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -137.05 138.04 40.01 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.8 p -137.3 129.85 29.94 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -135.44 112.59 10.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.517 1.127 . . . . 0.0 108.714 -171.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.97 95.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.491 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.7 OUTLIER -139.55 105.98 5.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.28 1.04 . . . . 0.0 112.775 -168.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -82.53 133.02 35.19 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -136.72 135.24 48.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 125.432 1.493 . . . . 0.0 110.535 -174.781 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 120.893 0.377 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -137.59 125.89 23.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.915 2.086 . . . . 0.0 105.872 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.25 139.51 49.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 m -146.47 142.61 28.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.687 -0.633 . . . . 0.0 110.601 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 p 47.28 38.09 6.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.85 1.66 . . . . 0.0 113.512 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.4 t -119.42 158.79 25.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.128 0.971 . . . . 0.0 110.451 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -123.95 135.87 53.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -137.49 133.24 45.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -175.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.3 m -134.67 129.57 35.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 45.16 39.75 4.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.548 1.539 . . . . 0.0 114.02 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 85.63 9.17 79.05 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.592 -1.115 . . . . 0.0 114.066 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.18 118.81 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.245 1.522 . . . . 0.0 107.442 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.33 0 C-N-CA 123.588 0.755 . . . . 0.0 110.201 174.754 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.07 132.95 48.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.937 0.79 . . . . 0.0 109.291 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -131.82 133.97 45.27 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 169.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.59 131.28 24.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -146.47 139.43 25.5 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.429 1.091 . . . . 0.0 108.334 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.66 17.06 64.28 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 118.837 -0.98 . . . . 0.0 114.857 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.2 m -101.25 162.76 12.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.58 1.19 . . . . 0.0 112.209 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -133.49 143.23 48.67 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.73 152.94 49.53 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 m -135.23 12.79 3.55 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.917 0.887 . . . . 0.0 112.145 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.89 -144.64 0.42 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.102 1.361 . . . . 0.0 111.05 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 C--O 1.249 1.039 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 171.897 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -69.32 113.17 6.4 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.9 m -85.04 -48.76 8.9 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.428 0.691 . . . . 0.0 109.833 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -162.31 28.2 0.11 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.647 0.779 . . . . 0.0 111.86 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -100.28 166.45 10.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.862 1.265 . . . . 0.0 111.096 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -113.46 120.9 42.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.885 0.874 . . . . 0.0 108.856 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mm -118.29 117.73 55.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.257 -2.497 . . . . 0.0 104.257 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -69.75 168.76 14.33 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.44 0.638 . . . . 0.0 112.078 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.99 65.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.459 1.104 . . . . 0.0 113.746 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -111.74 26.7 10.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.05 0.94 . . . . 0.0 111.142 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -121.99 160.15 25.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.358 1.463 . . . . 0.0 109.398 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -143.93 153.2 42.04 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.769 0.828 . . . . 0.0 109.335 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 p -133.03 24.88 4.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.437 1.895 . . . . 0.0 111.321 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.07 129.35 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.64 1.176 . . . . 0.0 111.866 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt 55.15 6.56 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.137 2.175 . . . . 0.0 114.093 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -112.43 154.08 26.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.543 1.065 . . . . 0.0 111.865 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -94.6 140.49 29.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.92 116.95 17.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.23 91.96 3.83 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -170.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 45.37 56.29 5.78 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.126 2.17 . . . . 0.0 113.737 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.32 172.35 6.85 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.913 1.285 . . . . 0.0 109.927 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.38 120.32 25.34 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 169.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 30' ' ' SER . 9.5 mt -120.33 106.47 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -173.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.9 114.23 27.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.888 1.675 . . . . 0.0 108.84 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t30 42.64 37.67 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.798 1.639 . . . . 0.0 112.759 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -127.29 160.68 30.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.424 1.09 . . . . 0.0 111.169 -169.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -125.47 136.46 53.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -132.56 109.05 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.4 164.12 24.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -169.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t0 53.31 65.27 1.56 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 126.898 2.079 . . . . 0.0 112.441 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.265 1.3 m 48.44 46.27 20.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.265 1.579 . . . . 0.0 115.265 -175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 m -76.48 162.82 27.51 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 166.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.4 100.45 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.7 t -86.01 140.63 30.12 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.95 117.39 13.72 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 173.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 42.36 35.38 0.62 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.586 2.354 . . . . 0.0 114.649 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.6 m -109.16 164.5 12.38 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.887 0.875 . . . . 0.0 110.589 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -111.89 123.81 51.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.658 1.583 . . . . 0.0 106.913 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -114.92 136.07 53.52 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -141.6 116.99 10.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 44.65 40.07 3.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.674 1.99 . . . . 0.0 113.846 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.49 10.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.232 1.413 . . . . 0.0 112.363 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -133.83 140.15 46.71 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.988 0.915 . . . . 0.0 109.826 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 124.6 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.883 1.673 . . . . 0.0 106.616 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.32 126.02 27.18 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.416 0.686 . . . . 0.0 109.428 -172.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 33.41 50.11 0.26 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.376 1.871 . . . . 0.0 112.634 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.21 158.36 39.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.8 t -116.74 140.18 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 p -131.07 145.3 51.96 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 m -136.89 116.69 13.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.91 50.91 17.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.389 1.476 . . . . 0.0 112.456 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.0 m -110.18 164.56 12.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.327 0.651 . . . . 0.0 110.213 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -130.81 112.47 13.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.77 109.38 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 -169.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -120.86 125.81 48.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -169.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 50.47 26.98 2.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.922 1.289 . . . . 0.0 113.806 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -116.16 166.88 11.52 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.744 0.817 . . . . 0.0 111.167 -169.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -130.04 131.42 45.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.19 129.67 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -169.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.68 135.75 35.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.267 0.627 . . . . 0.0 109.983 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt 47.12 28.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.386 1.074 . . . . 0.0 113.881 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -114.06 159.83 19.57 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.903 -1.123 . . . . 0.0 111.316 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -123.47 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.2 t -82.9 129.73 35.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 119.94 18.3 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.83 47.13 13.97 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.91 -0.939 . . . . 0.0 112.636 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -132.48 159.03 40.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.475 1.137 . . . . 0.0 110.522 -169.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -117.88 122.78 44.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -113.65 128.28 56.37 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -137.1 110.01 7.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.829 1.195 . . . . 0.0 109.562 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.43 38.95 97.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 118.603 -1.109 . . . . 0.0 113.031 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pp -123.59 166.68 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.21 1.505 . . . . 0.0 111.33 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -126.74 129.15 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.7 tt -140.74 133.85 32.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -136.21 140.32 43.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.76 0.424 . . . . 0.0 110.958 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 52.23 33.44 12.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.611 1.564 . . . . 0.0 113.442 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -122.88 175.53 6.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.913 0.885 . . . . 0.0 112.112 -169.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -136.84 143.23 42.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.5 p -133.88 153.73 51.55 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.0 m -156.63 109.75 2.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.137 -0.977 . . . . 0.0 109.263 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 49.74 60.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.495 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -138.05 129.15 27.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.415 0.608 . . . . 0.0 111.578 -168.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -95.9 134.44 38.9 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -139.37 121.15 16.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.902 0.881 . . . . 0.0 110.569 -173.588 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 76' ' ' ILE . 4.6 t . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.4 m -134.78 131.85 38.01 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.674 1.589 . . . . 0.0 107.088 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 79.4 mt -134.5 132.46 54.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 m -134.81 132.22 38.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.091 0.956 . . . . 0.0 108.858 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.254 2.8 p 48.88 36.92 9.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.173 1.389 . . . . 0.0 114.063 170.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.22 162.28 13.04 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.393 1.077 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 91.2 m -127.34 128.17 45.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 168.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 86' ' ' THR . 5.6 mt -133.94 136.94 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -171.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -150.46 134.87 17.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 42.63 46.71 4.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 112.455 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.495 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.96 4.21 88.7 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.075 -1.403 . . . . 0.0 114.649 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.2 t -126.58 127.93 70.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 119.969 1.885 . . . . 0.0 108.38 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 0 C-N-CA 123.791 0.836 . . . . 0.0 109.853 173.228 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.3 126.09 30.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.417 0.553 . . . . 0.0 109.758 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -125.22 136.8 53.92 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 tt -141.46 149.58 20.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.706 1.202 . . . . 0.0 108.363 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -155.12 152.34 29.37 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.194 0.998 . . . . 0.0 109.68 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.0 35.66 54.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.37 1.462 . . . . 0.0 113.382 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.34 161.32 24.92 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.171 0.986 . . . . 0.0 113.108 -169.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 m -131.26 140.63 49.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.923 2.089 . . . . 0.0 106.334 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.08 142.71 50.81 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m -141.39 150.96 43.05 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.794 0.838 . . . . 0.0 108.957 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.78 168.94 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.601 0.715 . . . . 0.0 111.046 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 51.8 mtt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.264 1.826 . . . . 0.0 106.197 169.719 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--O 1.233 0.193 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -135.96 138.98 42.86 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.064 0.545 . . . . 0.0 110.258 -174.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.3 m -127.98 94.69 3.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 55.17 17.15 1.87 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.211 2.204 . . . . 0.0 116.456 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -75.63 157.85 33.19 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.493 -1.379 . . . . 0.0 110.632 171.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.0 138.17 31.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 169.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -135.76 109.75 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.24 167.64 17.51 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.891 0.377 . . . . 0.0 110.931 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -27.69 51.14 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -170.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -115.01 -1.85 12.97 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.6 0.76 . . . . 0.0 112.151 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -73.96 160.36 31.46 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -147.17 141.68 26.5 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -172.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.98 145.25 39.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.16 122.51 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 58.74 -20.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.613 2.765 . . . . 0.0 115.594 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -60.09 162.85 5.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.922 1.689 . . . . 0.0 113.362 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 126.46 44.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.61 128.18 50.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -121.86 105.13 10.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.267 0.627 . . . . 0.0 109.672 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.72 44.38 5.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.009 2.124 . . . . 0.0 112.426 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.8 m -90.07 170.84 9.99 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.791 0.836 . . . . 0.0 108.792 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.32 109.38 9.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 30' ' ' SER . 34.1 mt -114.03 121.41 66.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 112.69 17.67 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.594 1.558 . . . . 0.0 108.33 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 t30 42.02 35.39 0.55 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.207 1.803 . . . . 0.0 113.675 -171.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.4 m -122.15 162.23 21.69 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.127 0.971 . . . . 0.0 111.28 -169.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -125.12 133.04 53.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -134.4 87.35 2.35 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.89 175.45 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 55.84 47.87 19.32 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 127.305 2.242 . . . . 0.0 112.263 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 62.57 44.21 7.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.153 1.381 . . . . 0.0 113.39 -178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.22 158.18 34.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -137.79 128.01 36.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.0 p -128.52 154.93 45.63 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.119 0.485 . . . . 0.0 110.615 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -150.14 122.42 8.39 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 46.48 38.0 4.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.606 1.963 . . . . 0.0 114.724 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -110.47 165.67 11.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.874 0.869 . . . . 0.0 111.537 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -122.74 140.32 53.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.19 1.796 . . . . 0.0 108.609 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -139.76 131.24 27.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 106.733 -1.581 . . . . 0.0 106.733 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 m -140.54 113.5 8.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -172.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.8 t70 43.24 43.3 3.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.174 2.19 . . . . 0.0 113.654 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.26 163.59 24.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 111.132 -170.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -130.44 139.87 50.57 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 121.407 -0.808 . . . . 0.0 109.917 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.75 130.81 42.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 125.538 1.535 . . . . 0.0 106.874 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -136.68 126.73 26.06 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? 34.74 52.27 0.56 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.699 2.0 . . . . 0.0 112.686 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.5 m -126.19 146.58 49.91 Favored 'General case' 0 CA--C 1.523 -0.093 0 O-C-N 121.26 -0.9 . . . . 0.0 109.405 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -94.07 134.06 32.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -153.51 97.8 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.351 -0.843 . . . . 0.0 109.463 -169.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.4 m -118.35 135.63 54.21 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.11 35.61 5.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.852 1.661 . . . . 0.0 111.894 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.83 161.51 14.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -138.84 112.09 8.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 171.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.2 mt -121.78 117.25 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -169.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -118.94 130.33 55.65 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 41.55 43.77 2.38 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.951 1.701 . . . . 0.0 113.758 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.4 m -126.53 168.64 13.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.755 0.822 . . . . 0.0 110.294 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -128.25 141.39 51.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.39 132.99 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.745 1.218 . . . . 0.0 107.749 -169.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -141.71 135.16 29.55 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.449 0.699 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt 49.51 24.73 1.19 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.176 1.39 . . . . 0.0 114.171 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -104.79 164.57 11.68 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.158 -0.964 . . . . 0.0 111.025 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.0 m -128.6 95.14 4.04 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.626 1.571 . . . . 0.0 107.972 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.71 131.85 34.33 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 m -137.19 97.97 3.62 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 39.65 96.22 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.374 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -126.36 167.53 15.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.183 0.991 . . . . 0.0 110.672 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -128.11 135.63 50.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.418 1.087 . . . . 0.0 108.209 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -120.58 141.91 49.86 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -143.49 121.01 11.73 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.88 44.31 98.25 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.228 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.03 166.96 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 119.013 1.407 . . . . 0.0 111.607 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.23 125.99 41.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -138.15 134.69 44.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 119.138 0.881 . . . . 0.0 110.058 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -135.48 131.78 36.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 123.568 0.747 . . . . 0.0 109.382 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 50.57 35.01 10.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.309 1.044 . . . . 0.0 113.178 169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.2 m -123.2 175.23 6.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.831 0.853 . . . . 0.0 111.854 -169.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m -135.38 139.4 44.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.7 p -137.74 127.4 25.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -136.91 106.08 6.01 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.96 54.07 30.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 103' ' ' GLY . 11.0 p -136.16 160.83 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.254 1.021 . . . . 0.0 110.702 -174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -131.13 121.32 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 mt -133.33 113.2 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -169.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -169.099 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.1 m -135.86 115.68 13.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.33 135.18 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 m -141.52 143.85 34.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 p 44.89 43.76 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.991 1.716 . . . . 0.0 113.79 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.9 t -126.42 161.69 27.31 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.249 1.02 . . . . 0.0 110.536 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.1 m -126.04 135.73 52.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.46 125.35 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.5 m -135.81 125.68 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 40.86 48.03 2.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.445 . . . . 0.0 112.504 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 86' ' ' THR . . . 82.64 5.09 89.78 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.53 -1.15 . . . . 0.0 114.256 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.03 114.55 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 119.488 1.644 . . . . 0.0 107.257 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 C-N-CA 123.415 0.686 . . . . 0.0 109.654 172.372 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.17 129.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.211 0.914 . . . . 0.0 109.964 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -122.35 137.74 54.75 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 168.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.9 tt -146.32 35.08 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.743 1.217 . . . . 0.0 109.786 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.8 m -59.27 134.74 57.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.445 1.498 . . . . 0.0 111.773 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.1 12.42 54.97 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.441 1.02 . . . . 0.0 114.436 172.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 84.1 m -82.72 160.68 22.31 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.708 1.254 . . . . 0.0 112.781 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.9 m -144.97 114.8 7.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 161.84 41.92 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.141 0.576 . . . . 0.0 111.676 -169.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.0 m -149.89 165.17 33.39 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.124 1.77 . . . . 0.0 109.255 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 150.84 41.65 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.959 0.504 . . . . 0.0 110.21 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 C--O 1.253 1.237 0 N-CA-C 106.949 -1.501 . . . . 0.0 106.949 168.703 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -77.05 99.15 5.22 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -66.88 -54.6 20.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.789 0.836 . . . . 0.0 110.172 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -164.86 30.7 0.06 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.269 1.028 . . . . 0.0 112.038 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -100.48 167.18 10.53 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.472 1.509 . . . . 0.0 111.556 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -104.16 134.22 47.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.18 115.72 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 p -68.99 166.34 18.2 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 111.211 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.63 39.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 114.214 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.37 7.14 13.81 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.475 0.71 . . . . 0.0 112.41 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.4 m -85.24 167.21 15.86 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.358 1.063 . . . . 0.0 108.717 169.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -145.81 149.67 34.76 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 p -133.63 139.01 46.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.3 t -145.03 130.32 13.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -169.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? 41.69 34.78 0.43 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.327 2.251 . . . . 0.0 113.516 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -137.75 170.82 15.4 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.92 1.688 . . . . 0.0 109.017 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -117.36 142.96 46.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.176 0.991 . . . . 0.0 108.846 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 118.57 11.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -120.89 111.52 17.64 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.629 0.772 . . . . 0.0 109.415 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 41.67 47.0 3.34 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 128.26 2.624 . . . . 0.0 114.445 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m -96.1 172.17 8.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.848 0.859 . . . . 0.0 110.342 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -127.4 123.6 36.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 30' ' ' SER . 23.0 mt -128.16 107.64 16.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -169.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.36 117.33 32.16 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.864 1.665 . . . . 0.0 108.496 -173.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 40.82 34.05 0.24 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.352 1.861 . . . . 0.0 114.202 -172.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.435 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -118.97 152.53 36.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 122.33 1.062 . . . . 0.0 112.278 -169.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -117.36 124.71 49.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.219 1.408 . . . . 0.0 107.765 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -127.03 103.01 7.23 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.54 167.46 26.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -168.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.89 68.2 0.9 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.25 1.82 . . . . 0.0 114.137 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 54.53 39.1 30.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.37 1.468 . . . . 0.0 113.741 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -81.8 170.44 15.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.82 140.22 30.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 O-C-N 122.004 -0.435 . . . . 0.0 110.271 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.7 t -120.07 136.96 54.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.95 113.08 7.51 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 42.16 56.79 3.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.541 1.936 . . . . 0.0 112.259 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -136.92 171.46 14.48 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.331 1.052 . . . . 0.0 111.437 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -123.01 132.47 54.15 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.467 1.507 . . . . 0.0 108.165 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 58' ' ' ILE . 19.1 m-85 -124.79 135.73 53.21 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 169.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -140.72 115.26 9.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 43.86 44.92 6.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.202 2.201 . . . . 0.0 113.343 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 171.4 9.1 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.909 1.284 . . . . 0.0 111.951 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -137.22 140.41 41.68 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.734 0.814 . . . . 0.0 109.494 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.4 128.63 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 124.797 1.239 . . . . 0.0 107.671 -171.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -134.71 130.45 36.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 108.982 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 32.42 48.98 0.13 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.166 2.187 . . . . 0.0 113.425 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -125.14 156.62 38.07 Favored 'General case' 0 CA--C 1.521 -0.145 0 O-C-N 121.576 -0.702 . . . . 0.0 109.34 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.15 125.9 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 -169.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.1 132.16 41.39 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -175.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.4 m -137.13 124.57 22.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 44.65 64.56 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.173 1.389 . . . . 0.0 112.294 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.6 t -116.02 157.89 23.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.52 1.128 . . . . 0.0 108.769 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -137.32 109.55 7.3 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 43' ' ' TYR . 16.0 mt -119.32 118.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -169.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.34 128.36 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 45.71 39.98 5.74 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.644 1.577 . . . . 0.0 113.517 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -125.57 163.49 22.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.773 0.829 . . . . 0.0 110.768 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.43 141.54 51.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.18 131.15 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -169.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.33 131.35 29.89 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.61 26.58 1.82 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.859 1.663 . . . . 0.0 113.546 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -110.0 163.5 13.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.643 1.177 . . . . 0.0 111.226 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.2 m -124.75 125.66 44.41 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.65 1.18 . . . . 0.0 108.697 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -118.07 125.06 49.56 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.052 1.341 . . . . 0.0 107.799 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 113.52 10.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.56 42.55 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.278 -0.735 . . . . 0.0 111.691 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -138.18 174.87 10.09 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.888 0.844 . . . . 0.0 112.29 -169.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -139.72 147.39 40.83 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.261 -0.899 . . . . 0.0 110.273 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -128.3 138.99 52.65 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 116.66 11.35 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.203 1.001 . . . . 0.0 108.416 172.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.8 44.0 98.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 118.596 -1.113 . . . . 0.0 113.345 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 164.56 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.16 1.48 . . . . 0.0 111.414 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -127.79 115.92 19.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.42 132.84 62.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -133.01 132.31 41.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.9 0.88 . . . . 0.0 109.112 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m 51.58 31.85 8.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.06 1.344 . . . . 0.0 113.742 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -117.0 173.97 6.36 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.793 0.837 . . . . 0.0 111.924 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.8 m -134.64 140.22 45.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.592 1.157 . . . . 0.0 107.978 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.04 118.9 9.27 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 m -136.79 115.78 12.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.119 0.967 . . . . 0.0 108.748 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.89 46.44 94.12 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 103' ' ' GLY . 6.4 p -135.49 155.82 49.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.219 1.01 . . . . 0.0 111.479 -169.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.1 m -131.47 130.81 42.91 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 169.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -125.26 130.2 73.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.234 0.24 0 C-N-CA 123.955 0.902 . . . . 0.0 109.565 -176.097 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -135.83 125.42 25.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.5 mt -138.18 134.76 44.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -174.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.4 m -138.14 138.84 39.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.096 0.959 . . . . 0.0 109.512 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.261 7.2 p 48.33 30.62 2.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.803 2.041 . . . . 0.0 114.731 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.2 m -89.87 159.87 16.75 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.298 -0.876 . . . . 0.0 110.973 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.4 m -130.03 124.62 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 86' ' ' THR . 11.6 mt -134.18 130.54 54.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -170.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -140.88 132.02 26.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -170.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 46.29 41.34 8.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.302 . . . . 0.0 112.276 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.94 9.78 84.89 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.248 -1.307 . . . . 0.0 114.873 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.28 126.16 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.691 1.745 . . . . 0.0 107.917 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.042 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.6 t -74.29 123.57 24.82 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.092 0.86 . . . . 0.0 109.13 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 130.3 53.82 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 169.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 tt -142.94 145.65 22.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.482 1.113 . . . . 0.0 108.826 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.7 m -157.63 145.33 18.69 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.42 1.088 . . . . 0.0 109.462 173.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.14 24.6 73.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.009 -0.884 . . . . 0.0 113.785 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.07 160.05 20.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.562 1.181 . . . . 0.0 112.101 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.8 m -130.61 145.17 51.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.741 2.016 . . . . 0.0 106.401 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.99 142.02 51.06 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.367 1.067 . . . . 0.0 108.657 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.2 m -143.06 157.28 44.68 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.252 1.421 . . . . 0.0 108.425 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.79 158.81 25.32 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.709 0.403 . . . . 0.0 110.053 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 124.135 0.974 . . . . 0.0 108.625 169.197 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -135.01 134.87 40.9 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 95.78 4.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.944 1.698 . . . . 0.0 106.542 170.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 56.19 14.4 1.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.049 2.139 . . . . 0.0 116.173 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 m -75.14 165.77 24.7 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.583 -1.323 . . . . 0.0 109.991 169.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -120.56 136.69 54.72 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.06 118.74 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -65.2 165.59 11.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.611 0.72 . . . . 0.0 111.453 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.92 63.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.905 0.882 . . . . 0.0 112.798 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -100.77 14.16 32.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 111.662 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -115.02 167.71 10.56 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 125.315 1.446 . . . . 0.0 109.935 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -132.47 138.26 47.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.748 0.819 . . . . 0.0 108.903 -172.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.6 t -139.2 107.65 5.84 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.78 126.4 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -169.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 56.29 -4.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.733 2.413 . . . . 0.0 115.616 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -90.73 178.29 6.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.964 1.306 . . . . 0.0 111.277 -169.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 m -125.1 134.33 52.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 172.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.98 126.26 37.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -120.2 111.72 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 44.38 37.45 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.639 2.375 . . . . 0.0 113.611 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.82 170.04 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.659 0.783 . . . . 0.0 109.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -133.66 128.26 34.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 30' ' ' SER . 22.8 mt -136.73 116.66 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.34 127.61 45.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.769 1.228 . . . . 0.0 109.659 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 38.84 38.35 0.27 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.06 2.144 . . . . 0.0 112.786 -169.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.491 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -128.78 167.95 16.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.8 0.84 . . . . 0.0 112.285 -169.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -128.68 131.44 47.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.61 106.25 9.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.78 162.4 36.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 46.01 74.31 0.15 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.832 2.453 . . . . 0.0 112.856 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 48.18 42.65 17.75 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.6 m -74.31 158.93 33.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 167.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.34 125.88 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -129.5 137.7 50.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -169.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -135.98 110.8 8.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 50.93 26.83 2.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.67 1.988 . . . . 0.0 115.192 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 m -92.29 160.08 15.3 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.321 0.964 . . . . 0.0 110.287 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.35 122.48 47.52 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.739 2.016 . . . . 0.0 107.032 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -113.81 136.27 53.05 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -139.92 116.47 10.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 46.27 41.97 9.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.98 1.712 . . . . 0.0 113.752 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.42 170.55 14.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.847 1.259 . . . . 0.0 112.829 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -132.42 140.45 48.45 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.099 0.959 . . . . 0.0 109.78 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.21 128.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.089 1.356 . . . . 0.0 107.455 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.99 130.09 37.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.796 0.838 . . . . 0.0 109.647 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 tttt 33.5 49.91 0.26 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.211 2.205 . . . . 0.0 112.937 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 m -125.84 161.66 26.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.51 132.43 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -142.51 140.43 31.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.48 0.582 . . . . 0.0 110.622 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -136.84 113.38 10.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.29 1.436 . . . . 0.0 107.63 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.13 49.3 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.301 1.84 . . . . 0.0 112.446 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.8 m -112.03 168.58 9.49 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.029 0.931 . . . . 0.0 110.387 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -120.42 134.97 55.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.2 mt -134.97 100.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.41 129.42 56.02 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 mttp 51.8 25.23 2.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.396 1.478 . . . . 0.0 114.229 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -112.4 167.56 10.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.594 0.758 . . . . 0.0 111.684 -169.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -128.97 131.92 47.52 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.01 131.0 52.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -169.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -137.03 133.91 36.0 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.118 0.567 . . . . 0.0 109.801 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt 49.69 29.01 2.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -111.52 163.13 14.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.501 1.12 . . . . 0.0 110.637 -169.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -125.71 130.34 51.34 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.764 1.226 . . . . 0.0 107.949 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.8 t -129.65 130.31 45.41 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.144 0.978 . . . . 0.0 109.096 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -138.56 120.14 15.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.47 31.18 51.36 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.74 0.686 . . . . 0.0 113.477 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.86 161.54 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.964 0.905 . . . . 0.0 110.14 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -131.69 121.71 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -170.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -110.1 138.5 46.39 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.3 115.39 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.7 48.69 84.96 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 118.849 -0.973 . . . . 0.0 113.178 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.09 157.88 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 118.296 1.048 . . . . 0.0 110.88 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -128.3 102.84 6.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -124.57 136.44 60.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 122.875 0.47 . . . . 0.0 110.434 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 148.21 47.57 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 53.89 31.69 13.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.648 1.579 . . . . 0.0 113.063 170.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -121.37 175.49 6.14 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.78 0.832 . . . . 0.0 112.025 -169.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -136.97 137.67 39.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.524 1.13 . . . . 0.0 108.747 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 p -135.51 128.29 31.09 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -135.08 111.49 9.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.386 1.074 . . . . 0.0 108.683 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.2 49.96 72.89 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -137.29 131.13 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.999 0.9 . . . . 0.0 111.683 -169.398 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -95.89 136.51 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 169.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.6 mm -133.88 109.77 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 -173.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.041 0.448 . . . . 0.0 111.303 -169.442 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -134.61 123.94 24.61 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.69 134.79 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -142.65 134.93 27.55 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 p 46.62 38.64 5.89 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.555 1.542 . . . . 0.0 113.379 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -115.62 160.98 19.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.237 1.015 . . . . 0.0 110.357 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.4 m -127.16 136.19 51.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 169.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.449 HG22 HG21 ' A' ' 86' ' ' THR . 6.8 mt -137.55 131.52 43.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 -177.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.0 m -136.78 132.07 34.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 38.21 51.39 1.52 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.547 1.539 . . . . 0.0 113.299 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.0 3.76 90.63 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.332 -1.26 . . . . 0.0 114.411 173.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.91 120.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 119.684 1.742 . . . . 0.0 108.022 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.425 0.69 . . . . 0.0 109.818 172.817 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 118.834 -0.603 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.58 132.36 44.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.662 0.665 . . . . 0.0 110.066 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.79 138.08 50.85 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 tt -141.0 143.86 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.121 1.368 . . . . 0.0 108.677 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 m -146.55 150.06 34.79 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.335 1.054 . . . . 0.0 109.397 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.75 37.35 56.98 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.451 1.5 . . . . 0.0 114.164 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 5.9 t -134.06 160.35 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.394 1.097 . . . . 0.0 112.917 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -125.82 147.25 49.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.897 1.679 . . . . 0.0 108.112 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -128.78 149.42 50.73 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.836 1.255 . . . . 0.0 108.725 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 m -147.06 159.3 43.75 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.307 1.043 . . . . 0.0 109.086 171.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.37 148.97 30.39 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.6 ttt . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.234 1.014 . . . . 0.0 108.431 169.602 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -91.91 126.11 36.87 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.362 0.665 . . . . 0.0 110.012 -172.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.16 -56.19 4.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.411 1.084 . . . . 0.0 109.89 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -160.49 12.04 0.11 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.607 1.163 . . . . 0.0 112.375 -175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -73.48 159.36 33.33 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 111.257 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -96.69 133.96 40.55 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 170.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.83 113.03 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -71.12 169.94 13.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.398 0.618 . . . . 0.0 111.552 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.05 -25.91 59.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.962 1.305 . . . . 0.0 113.921 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -121.17 34.62 5.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.319 1.048 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 m -121.99 163.38 19.46 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.615 1.566 . . . . 0.0 108.978 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -155.96 148.21 23.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.321 0.51 . . . . 0.0 110.295 -171.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.79 145.37 48.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 168.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.11 116.58 3.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt 62.67 -19.88 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.51 2.724 . . . . 0.0 114.545 -170.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -62.98 164.27 8.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.778 1.231 . . . . 0.0 113.436 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 m -112.14 148.74 33.35 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.366 1.466 . . . . 0.0 107.3 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 132.76 26.8 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.613 -0.679 . . . . 0.0 109.591 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 81.08 2.01 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.437 0.695 . . . . 0.0 109.522 -169.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.78 59.76 4.26 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.94 1.696 . . . . 0.0 111.379 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m -106.55 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.946 1.298 . . . . 0.0 109.108 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -137.13 117.24 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.429 HG23 ' HB2' ' A' ' 30' ' ' SER . 35.6 mt -123.56 112.89 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -169.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -118.18 115.38 24.66 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.815 1.646 . . . . 0.0 108.488 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 t30 43.0 38.88 1.57 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.911 1.684 . . . . 0.0 113.264 -173.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' HG23 ' A' ' 27' ' ' ILE . 66.7 m -129.29 165.04 22.22 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.053 0.941 . . . . 0.0 112.442 -169.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -126.98 133.45 50.57 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.922 0.889 . . . . 0.0 108.642 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -132.31 84.84 2.18 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.1 179.52 2.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -167.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 t0 55.82 52.88 10.09 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.758 2.023 . . . . 0.0 111.89 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 58.29 40.81 24.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.972 0.909 . . . . 0.0 113.163 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -73.38 173.78 9.07 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.193 -0.942 . . . . 0.0 109.543 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.67 146.56 21.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 121.489 -0.757 . . . . 0.0 109.694 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.92 153.24 50.48 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -144.77 126.99 15.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 46.27 36.28 3.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.481 1.512 . . . . 0.0 113.766 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.3 m -116.19 158.61 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.256 0.622 . . . . 0.0 111.248 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -115.63 137.97 51.54 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.684 1.594 . . . . 0.0 107.607 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.62 129.75 33.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -141.32 115.47 9.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -171.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 43.83 42.02 4.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.686 1.994 . . . . 0.0 113.757 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.33 167.13 14.77 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.367 1.467 . . . . 0.0 111.758 -169.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -134.84 138.2 43.98 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 123.612 0.765 . . . . 0.0 109.698 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.65 133.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -135.11 130.76 35.98 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 34.76 52.38 0.57 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.805 2.042 . . . . 0.0 113.54 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.1 m -123.68 156.51 35.78 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.38 -0.825 . . . . 0.0 109.225 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.55 110.66 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -169.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -130.65 139.97 50.37 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 118.632 0.651 . . . . 0.0 109.935 -169.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.2 m -136.29 129.83 32.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.801 1.24 . . . . 0.0 107.714 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t0 42.18 67.46 0.58 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.409 2.283 . . . . 0.0 112.76 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 68.5 m -128.35 167.13 17.4 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.475 0.71 . . . . 0.0 110.682 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -133.07 112.17 11.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 105.626 -1.991 . . . . 0.0 105.626 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 73' ' ' TYR . 19.7 mm -117.71 107.66 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -168.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -119.1 127.59 53.51 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 47.14 34.42 2.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.713 1.605 . . . . 0.0 113.652 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.0 m -119.35 165.58 14.12 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.574 0.749 . . . . 0.0 111.198 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -126.22 132.66 51.7 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.277 1.431 . . . . 0.0 107.504 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -136.02 133.76 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.43 136.35 31.26 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.95 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 mt 51.9 27.12 4.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.717 1.207 . . . . 0.0 113.464 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 m -109.71 159.8 16.85 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 110.235 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.0 m -122.43 128.57 51.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.7 t -128.33 126.5 40.86 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.928 0.891 . . . . 0.0 108.786 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 m -135.98 121.25 19.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.54 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 119.415 -0.658 . . . . 0.0 112.632 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.0 m -129.1 165.17 21.76 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.275 1.03 . . . . 0.0 110.482 -169.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.99 134.73 44.86 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 58' ' ' ILE . 16.0 m-30 -118.23 131.17 56.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -140.24 101.44 4.14 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.91 43.56 82.36 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.764 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' A' ' 93' ' ' CYS . 3.7 pt -129.12 169.89 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.426 1.613 . . . . 0.0 111.916 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -123.68 129.66 51.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.2 tt -143.15 131.49 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -137.09 135.48 37.5 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.369 0.668 . . . . 0.0 109.484 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m 51.37 35.08 13.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.248 1.419 . . . . 0.0 113.664 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -121.87 174.71 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 111.843 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -136.86 133.93 36.36 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.456 1.102 . . . . 0.0 108.524 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.5 p -136.38 128.48 29.68 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -135.69 114.68 12.18 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.163 0.985 . . . . 0.0 108.409 -174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.06 41.91 99.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -131.79 121.34 23.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.656 1.228 . . . . 0.0 111.968 -168.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.4 m -93.94 134.35 36.42 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 168.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -137.08 125.05 32.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 124.364 1.066 . . . . 0.0 110.746 -176.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.483 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.3 t . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -136.0 131.6 35.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.9 134.82 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -138.52 141.07 39.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.216 0.606 . . . . 0.0 110.222 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.44 31.2 16.46 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 168.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 94.9 m -104.52 163.56 12.37 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.139 0.976 . . . . 0.0 111.983 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -129.81 133.44 46.95 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mt -141.51 135.36 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 m -140.19 128.82 22.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.41 1.084 . . . . 0.0 108.282 -172.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 40.66 49.28 2.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.521 1.529 . . . . 0.0 113.333 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.501 ' H ' HG22 ' A' ' 86' ' ' THR . . . 83.93 2.69 89.55 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.066 -1.408 . . . . 0.0 114.42 172.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 t -130.73 137.02 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 119.898 1.849 . . . . 0.0 108.184 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.358 0 O-C-N 121.73 -0.606 . . . . 0.0 109.625 173.639 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.2 t -59.06 133.72 56.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 110.768 -175.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -135.55 128.61 31.59 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.6 tt -141.13 143.99 27.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 124.386 1.074 . . . . 0.0 109.366 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 m -146.81 146.57 30.29 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.52 1.128 . . . . 0.0 109.366 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.33 37.62 60.21 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.26 1.41 . . . . 0.0 113.632 169.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.18 160.2 28.4 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.176 0.988 . . . . 0.0 112.98 -169.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.8 m -134.11 144.81 48.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.833 2.053 . . . . 0.0 107.344 171.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.24 145.88 51.26 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.881 1.272 . . . . 0.0 108.509 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.8 m -142.84 150.38 39.82 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.515 1.126 . . . . 0.0 108.857 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.71 169.27 13.21 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.102 0.561 . . . . 0.0 110.407 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -176.716 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -72.89 157.88 36.59 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.119 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -123.06 -66.46 1.02 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.412 1.885 . . . . 0.0 107.3 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -148.81 16.74 0.98 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.227 1.811 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -69.75 169.62 12.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.5 0.72 . . . . 0.0 110.552 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -118.17 139.89 50.6 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.04 116.63 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -64.06 162.7 13.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.22 0.533 . . . . 0.0 111.477 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.49 63.18 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -109.07 -4.72 16.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.371 0.668 . . . . 0.0 112.087 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 m -71.75 171.55 11.39 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.387 0.675 . . . . 0.0 109.985 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -139.45 143.56 37.64 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.565 -0.709 . . . . 0.0 109.187 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -134.2 121.23 21.07 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 104.691 -2.336 . . . . 0.0 104.691 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -143.58 129.99 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 pttt 34.01 45.39 0.11 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.197 2.199 . . . . 0.0 113.297 -173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -140.12 160.66 39.44 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.554 1.542 . . . . 0.0 108.371 -172.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -117.47 141.32 48.49 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.28 124.12 19.96 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -121.58 110.76 16.4 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.365 1.066 . . . . 0.0 109.05 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 42.57 40.82 2.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.203 1.801 . . . . 0.0 113.894 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -87.74 166.69 14.45 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -132.5 125.83 31.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.8 mt -127.92 118.27 48.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -169.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.83 115.18 23.32 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.812 1.645 . . . . 0.0 108.421 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.98 40.51 1.04 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.291 1.836 . . . . 0.0 113.988 -174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.5 m -127.58 165.19 20.39 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.015 0.926 . . . . 0.0 111.436 -169.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.31 130.31 50.58 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 tp -125.22 100.69 6.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.13 163.41 36.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.9 63.4 2.14 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.833 1.653 . . . . 0.0 113.42 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 34.61 17.54 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.936 1.695 . . . . 0.0 113.417 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 m -76.54 152.09 36.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.6 mt -139.25 120.72 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.63 147.49 45.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.459 0.572 . . . . 0.0 109.612 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -143.4 114.37 7.74 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 59.86 13.95 3.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.557 1.543 . . . . 0.0 113.815 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -95.57 166.67 11.73 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.015 -1.053 . . . . 0.0 112.117 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -118.31 138.13 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.966 2.106 . . . . 0.0 107.831 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -135.38 130.51 35.02 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.88 113.8 7.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -171.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 43.27 44.46 4.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.449 1.9 . . . . 0.0 113.13 -173.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.38 171.12 10.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.669 1.588 . . . . 0.0 112.268 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -133.65 144.14 49.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.36 1.064 . . . . 0.0 109.138 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.13 128.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -133.91 127.26 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm 37.15 49.29 0.84 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.294 1.838 . . . . 0.0 113.487 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -128.19 149.07 50.61 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.734 -0.604 . . . . 0.0 109.616 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.76 128.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.13 112.05 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -168.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -125.25 127.86 47.4 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.943 0.897 . . . . 0.0 109.977 -169.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 46.72 40.36 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.889 2.076 . . . . 0.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 m -105.55 165.2 11.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.376 0.671 . . . . 0.0 109.977 -176.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -127.65 111.77 14.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mm -117.05 100.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -118.31 130.98 56.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -171.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm 49.38 21.98 0.64 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.465 1.506 . . . . 0.0 114.196 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -110.31 163.36 13.72 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.146 0.884 . . . . 0.0 111.576 -169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -133.05 115.97 15.79 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.8 t -119.81 134.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 124.8 1.24 . . . . 0.0 108.789 -168.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -141.13 132.65 26.97 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.671 0.788 . . . . 0.0 109.3 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.3 mt 49.05 26.99 1.54 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.54 1.136 . . . . 0.0 113.513 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m -110.95 163.75 13.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.565 1.146 . . . . 0.0 111.341 -168.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.8 m -123.91 131.82 53.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.23 1.412 . . . . 0.0 107.498 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -131.38 134.43 46.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.867 1.267 . . . . 0.0 108.332 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 m -138.03 118.84 14.14 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.84 35.92 59.14 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 118.94 -0.922 . . . . 0.0 113.338 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -130.97 158.88 39.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.458 1.129 . . . . 0.0 112.143 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 124.91 53.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -110.25 132.65 53.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.469 -2.049 . . . . 0.0 105.469 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.32 103.38 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.02 42.46 92.48 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-O 118.544 -1.142 . . . . 0.0 112.457 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -126.12 146.7 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.08 1.44 . . . . 0.0 111.372 -175.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -99.12 130.19 45.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 168.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.27 131.2 16.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 118.65 0.659 . . . . 0.0 109.622 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -132.36 138.51 47.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.679 0.792 . . . . 0.0 109.739 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m 51.44 29.13 4.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.916 1.287 . . . . 0.0 114.131 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.0 m -114.21 173.31 6.51 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.989 0.813 . . . . 0.0 112.232 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -136.9 134.66 37.05 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 107.888 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.8 p -134.16 154.48 51.2 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.532 0.733 . . . . 0.0 109.417 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.2 m -152.37 134.33 14.87 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.333 -0.854 . . . . 0.0 108.961 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.46 45.45 36.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.924 1.249 . . . . 0.0 114.051 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -142.31 161.62 37.56 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.554 1.677 . . . . 0.0 110.473 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -122.22 130.55 53.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.4 mt -136.35 121.75 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 -169.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.45 -0.451 0 C-N-CA 123.925 0.89 . . . . 0.0 109.767 -170.309 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.1 t . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.3 m -139.06 132.04 29.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.521 1.528 . . . . 0.0 107.685 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -138.17 139.61 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.957 1.303 . . . . 0.0 107.534 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 m -140.28 143.21 35.79 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 p 46.93 35.3 3.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.309 1.844 . . . . 0.0 113.332 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.5 t -104.39 162.67 13.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.51 0.724 . . . . 0.0 111.788 -169.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 m -129.57 130.85 46.23 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 171.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.54 142.18 31.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.4 m -150.24 134.55 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 43.74 46.31 6.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.189 1.396 . . . . 0.0 113.225 173.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.84 86.72 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 118.83 -0.983 . . . . 0.0 113.784 173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.05 137.37 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 125.498 1.519 . . . . 0.0 110.309 -173.371 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.67 133.22 55.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.689 0.677 . . . . 0.0 110.159 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -133.36 136.87 45.61 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.2 mt -138.78 140.49 38.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.9 m -142.86 144.55 32.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.995 1.318 . . . . 0.0 108.605 173.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.78 29.63 67.76 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.72 -1.045 . . . . 0.0 114.39 170.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.99 164.25 16.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.812 1.306 . . . . 0.0 112.809 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.7 m -135.53 135.14 40.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 126.818 2.047 . . . . 0.0 106.282 172.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -128.73 144.8 51.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.534 1.133 . . . . 0.0 108.278 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.9 m -147.93 159.9 43.38 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.096 1.358 . . . . 0.0 109.429 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.82 154.53 38.25 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.846 -0.534 . . . . 0.0 109.724 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.857 0.863 . . . . 0.0 108.785 169.477 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 122.463 1.125 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -72.71 128.29 35.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.787 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -126.53 107.26 10.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t30 42.63 31.05 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.59 2.356 . . . . 0.0 115.319 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -101.84 161.49 13.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.347 1.059 . . . . 0.0 111.175 -174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -119.22 129.85 55.17 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 114.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.5 p -68.39 166.27 17.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.257 0.551 . . . . 0.0 110.884 -175.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.89 62.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.957 0.903 . . . . 0.0 113.126 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -102.64 0.69 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.287 1.435 . . . . 0.0 111.973 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -91.56 177.88 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.664 1.185 . . . . 0.0 109.083 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -147.27 137.35 23.17 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.497 -0.752 . . . . 0.0 110.733 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.17 144.84 33.62 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.413 1.885 . . . . 0.0 106.77 169.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.04 -44.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-O 122.49 1.138 . . . . 0.0 112.424 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -148.36 97.56 2.78 Favored 'General case' 0 C--N 1.315 -0.933 1 N-CA-C 100.123 -4.029 . . . . 0.0 100.123 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -152.85 -179.63 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.6 m -149.48 133.88 17.47 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 169.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.82 130.5 22.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -125.67 110.95 14.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.18 42.88 0.8 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.919 2.088 . . . . 0.0 113.087 -171.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.61 163.45 23.63 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -132.28 122.42 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 30' ' ' SER . 20.6 mt -136.36 116.99 17.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -169.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -125.38 127.2 46.21 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.223 1.409 . . . . 0.0 109.499 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t30 37.0 40.13 0.14 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.086 2.154 . . . . 0.0 113.89 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -130.65 162.47 29.31 Favored 'General case' 0 CA--C 1.527 0.072 0 O-C-N 121.688 -0.633 . . . . 0.0 112.155 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -116.87 133.17 56.34 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.344 0.658 . . . . 0.0 109.376 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -123.38 96.67 5.08 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.51 174.07 12.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 118.643 0.656 . . . . 0.0 112.591 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.8 t0 51.6 46.55 26.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.646 1.978 . . . . 0.0 112.935 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.269 1.3 m 59.99 41.3 17.71 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.841 2.056 . . . . 0.0 112.982 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -70.94 164.07 26.2 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.3 141.85 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.655 0.382 . . . . 0.0 110.515 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.3 t -126.99 138.94 53.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 107.824 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -135.24 103.34 5.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 58.63 20.01 7.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.706 1.202 . . . . 0.0 113.855 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.3 m -89.25 166.38 13.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.459 1.027 . . . . 0.0 110.548 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.98 129.46 56.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.953 1.701 . . . . 0.0 107.334 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.5 135.61 53.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 m -142.55 115.73 8.91 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 47.14 41.76 12.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.046 1.738 . . . . 0.0 113.225 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.55 171.27 12.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.013 1.325 . . . . 0.0 113.147 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -130.34 137.95 50.18 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.164 0.986 . . . . 0.0 109.003 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -137.11 126.92 38.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -134.57 128.73 33.82 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.718 0.807 . . . . 0.0 109.204 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tttm 34.15 50.56 0.37 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 127.05 2.14 . . . . 0.0 112.954 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -125.73 161.24 27.76 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -114.93 132.49 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 137.19 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.335 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.1 m -135.92 131.01 34.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.645 1.178 . . . . 0.0 108.117 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 45.95 46.98 12.56 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.775 2.03 . . . . 0.0 112.099 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.08 165.15 11.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.038 0.935 . . . . 0.0 109.003 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -132.24 119.35 20.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.7 mt -123.04 100.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 -169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.41 127.23 56.05 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -172.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.54 28.69 4.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.089 1.356 . . . . 0.0 113.389 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -118.73 167.45 11.66 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.292 -169.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.83 135.58 51.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.84 130.19 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.13 133.26 33.16 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt 48.51 27.92 1.58 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.588 1.086 . . . . 0.0 113.799 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -112.03 163.81 13.85 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.027 -1.045 . . . . 0.0 111.137 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 m -128.47 107.02 9.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.902 1.281 . . . . 0.0 108.749 -177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.47 131.4 44.76 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.312 0.645 . . . . 0.0 109.37 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.7 m -134.07 113.88 12.57 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.55 37.31 66.84 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 119.208 -0.773 . . . . 0.0 112.715 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -132.23 178.44 6.81 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.485 1.114 . . . . 0.0 110.341 -169.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.48 140.84 35.4 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -123.97 134.65 53.44 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.37 118.29 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 171.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.37 94.18 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.731 -1.038 . . . . 0.0 113.415 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -125.02 164.58 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 118.968 1.384 . . . . 0.0 111.768 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -122.97 122.72 39.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 169.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.08 131.92 42.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -134.77 142.27 46.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.983 0.42 . . . . 0.0 111.508 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 52.78 31.2 10.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.441 1.497 . . . . 0.0 113.62 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -120.12 174.77 6.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.907 0.883 . . . . 0.0 111.927 -169.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -137.4 139.49 40.75 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.458 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p -138.63 130.56 28.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 m -132.65 128.37 36.92 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.085 0.954 . . . . 0.0 108.607 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.56 32.55 39.14 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 118.264 -1.298 . . . . 0.0 114.411 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -129.7 165.2 22.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.313 2.056 . . . . 0.0 110.963 -171.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 t -130.12 131.6 45.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -127.45 135.57 62.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 125.146 1.378 . . . . 0.0 109.867 -170.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 120.945 0.403 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.8 m -139.05 124.83 19.66 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 126.704 2.002 . . . . 0.0 105.752 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.95 135.12 48.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.8 m -135.38 137.86 42.75 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.238 1.015 . . . . 0.0 109.409 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.84 37.46 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.632 1.573 . . . . 0.0 114.358 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.7 m -100.6 161.84 13.33 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.091 0.957 . . . . 0.0 110.824 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.5 m -129.07 130.92 47.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 104.046 -2.576 . . . . 0.0 104.046 169.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mt -135.92 132.21 50.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.2 m -131.1 123.04 27.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 43.63 41.82 3.76 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.517 1.527 . . . . 0.0 113.522 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.12 69.64 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.002 -0.888 . . . . 0.0 113.352 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.69 111.19 29.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 171.561 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.54 127.85 34.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -132.86 131.06 40.55 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 tt -143.81 147.79 19.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.325 1.05 . . . . 0.0 109.17 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -157.77 150.04 22.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 109.15 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.62 19.11 70.76 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.762 -1.021 . . . . 0.0 114.687 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 81.3 m -110.93 163.47 13.78 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.535 1.167 . . . . 0.0 112.222 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.8 m -136.31 139.04 42.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 168.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.23 155.3 41.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.868 0.758 . . . . 0.0 111.435 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 m -155.34 170.8 21.05 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.502 1.521 . . . . 0.0 109.878 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.32 148.41 49.75 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 168.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.499 0.72 . . . . 0.0 109.247 176.122 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 122.906 1.336 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -76.74 102.82 6.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.517 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -68.51 -54.98 13.33 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -170.14 81.3 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.175 1.79 . . . . 0.0 107.512 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -144.48 168.63 19.66 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.409 1.484 . . . . 0.0 110.844 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -128.5 134.79 48.78 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.03 1.332 . . . . 0.0 108.506 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.62 122.85 17.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.7 p -71.73 168.85 16.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.303 0.573 . . . . 0.0 111.726 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.62 -27.32 62.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.573 1.149 . . . . 0.0 113.837 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -109.99 -0.46 18.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.293 0.637 . . . . 0.0 112.12 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -78.58 165.75 23.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -143.45 149.89 38.24 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 p -136.17 129.25 31.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.72 134.56 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 pttt 34.68 45.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.606 1.962 . . . . 0.0 113.177 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -139.99 178.4 7.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.96 1.704 . . . . 0.0 108.211 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.3 m -136.05 141.85 44.33 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -173.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.62 120.45 12.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.93 0.492 . . . . 0.0 109.76 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.5 m -125.71 124.71 41.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 108.801 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.67 37.62 3.45 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.769 1.628 . . . . 0.0 112.04 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.1 t -94.64 152.75 18.24 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -126.11 125.54 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 30' ' ' SER . 27.9 mt -127.74 106.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 -172.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -115.39 120.24 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 125.357 1.463 . . . . 0.0 108.269 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 t30 40.16 32.02 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.754 2.021 . . . . 0.0 113.713 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.9 m -117.41 156.89 27.15 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.862 0.865 . . . . 0.0 111.636 -169.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -125.35 117.03 22.85 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -169.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -117.73 104.55 11.1 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 125.181 1.392 . . . . 0.0 107.502 -171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.16 163.45 36.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 112.823 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 t70 52.77 66.51 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.216 1.806 . . . . 0.0 113.599 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.09 33.0 19.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.984 1.713 . . . . 0.0 113.255 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.3 m -76.02 149.9 37.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.04 133.24 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -129.53 135.76 49.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 m -139.3 118.52 12.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 44.82 39.91 3.89 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.053 1.741 . . . . 0.0 114.197 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -125.69 167.79 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.603 0.761 . . . . 0.0 111.882 -172.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -119.47 132.89 55.88 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.686 1.594 . . . . 0.0 108.052 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.0 133.8 54.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m -141.4 118.84 11.51 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.12 42.55 3.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.538 1.935 . . . . 0.0 113.057 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.95 167.03 12.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.95 1.3 . . . . 0.0 112.142 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -132.21 143.65 50.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.28 1.032 . . . . 0.0 109.034 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.14 130.59 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -133.9 124.75 26.95 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.33 47.93 1.57 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.431 1.892 . . . . 0.0 113.262 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -126.6 150.53 48.83 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.33 124.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.24 130.97 41.64 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.6 m -137.0 123.6 20.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 t70 50.24 46.71 24.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.56 1.544 . . . . 0.0 113.434 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.3 m -116.85 165.11 13.7 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.427 -0.796 . . . . 0.0 111.607 -174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -132.58 111.55 11.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -124.76 110.7 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -169.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -123.66 135.15 53.74 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm 49.86 21.22 0.66 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.249 1.819 . . . . 0.0 114.377 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -109.81 164.28 12.72 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.973 0.806 . . . . 0.0 112.839 -168.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -128.35 126.39 40.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.94 133.47 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 123.9 0.88 . . . . 0.0 108.855 -168.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -143.11 127.8 18.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.683 0.793 . . . . 0.0 109.665 -173.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt 44.1 35.08 1.09 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.845 1.202 . . . . 0.0 113.977 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -115.26 159.16 21.34 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 120.942 -1.099 . . . . 0.0 110.307 -169.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.9 m -125.36 126.93 45.82 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -123.59 126.88 47.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.848 1.259 . . . . 0.0 108.124 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -134.61 118.74 17.54 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 31.28 58.64 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.998 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.3 m -125.5 169.75 12.11 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.267 1.034 . . . . 0.0 111.092 -169.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -139.98 129.89 24.74 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.482 -0.761 . . . . 0.0 109.005 -169.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -119.86 139.97 51.55 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -140.73 105.94 5.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.578 0.751 . . . . 0.0 109.145 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.77 45.51 88.27 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-O 118.8 -1.0 . . . . 0.0 112.78 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.9 156.21 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 118.828 1.314 . . . . 0.0 110.912 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -114.14 125.7 54.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 168.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -138.59 128.44 32.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -128.72 144.59 51.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.598 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m 53.81 27.19 6.79 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.927 1.291 . . . . 0.0 113.582 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 m -117.13 173.5 6.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.675 0.79 . . . . 0.0 112.097 -169.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -134.46 135.08 42.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.354 1.062 . . . . 0.0 108.205 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -135.64 125.77 26.18 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 120.64 22.39 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 44.58 74.53 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 117.401 -1.777 . . . . 0.0 113.017 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 t -140.24 151.16 44.93 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.137 2.469 . . . . 0.0 111.209 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 m -109.54 145.13 36.83 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.394 1.077 . . . . 0.0 108.45 171.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.6 mt -142.48 131.06 21.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 124.807 1.243 . . . . 0.0 109.971 179.48 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -138.48 126.35 22.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.318 1.447 . . . . 0.0 107.37 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 mt -138.2 137.94 43.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 124.574 1.15 . . . . 0.0 108.052 -174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -139.06 141.24 38.21 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.167 0.587 . . . . 0.0 110.118 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.48 33.93 3.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.27 1.828 . . . . 0.0 113.984 169.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 t -104.87 165.51 11.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.926 0.89 . . . . 0.0 110.745 -173.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.1 m -129.14 128.68 43.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -136.27 134.76 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 m -141.51 134.04 28.35 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.657 0.783 . . . . 0.0 109.283 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 43.99 38.19 2.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.241 1.816 . . . . 0.0 114.995 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.44 11.8 63.83 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.758 -1.023 . . . . 0.0 113.326 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 123.13 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 119.053 1.426 . . . . 0.0 107.808 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 170.32 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.1 -0.476 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.01 132.9 46.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.778 0.717 . . . . 0.0 109.165 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -131.56 135.59 47.14 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.8 tt -145.11 142.38 22.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 125.279 1.431 . . . . 0.0 107.752 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.6 m -157.69 141.9 16.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.18 0.992 . . . . 0.0 109.438 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.03 26.09 73.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 119.15 -0.806 . . . . 0.0 113.385 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 86.4 m -116.5 159.69 21.7 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.393 1.096 . . . . 0.0 112.016 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.8 m -132.85 149.77 52.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 127.111 2.164 . . . . 0.0 106.288 169.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.96 151.47 49.64 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.09 0.956 . . . . 0.0 109.007 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.61 167.2 31.17 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.326 1.05 . . . . 0.0 109.511 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.22 -178.78 4.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.927 0.87 . . . . 0.0 111.796 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mmm . . . . . 0 C--O 1.247 0.954 0 C-N-CA 127.928 2.491 . . . . 0.0 104.747 169.874 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.59 135.72 38.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.908 -0.495 . . . . 0.0 109.667 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 m -130.58 93.2 3.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.159 2.183 . . . . 0.0 106.318 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.8 t30 53.5 18.22 1.33 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.434 2.294 . . . . 0.0 116.067 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -74.22 159.38 32.58 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 120.516 -1.365 . . . . 0.0 110.413 170.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -103.63 134.33 47.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.96 119.9 24.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -68.19 167.99 13.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.057 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.91 60.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.311 1.044 . . . . 0.0 113.522 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -106.89 -13.83 15.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.8 m -63.85 163.44 11.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.497 . . . . 0.0 110.028 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -132.56 141.54 48.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 t -137.32 116.12 12.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -142.04 117.78 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 63.8 -25.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.128 2.571 . . . . 0.0 114.577 -173.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.6 m -58.51 170.16 0.8 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.677 1.991 . . . . 0.0 113.497 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -123.2 137.12 54.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.88 117.41 12.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -113.83 104.84 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.42 42.15 3.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.125 2.17 . . . . 0.0 112.907 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.4 m -84.13 172.52 11.87 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.47 117.77 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 30' ' ' SER . 43.9 mt -127.58 110.26 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 -169.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -120.04 123.41 43.37 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 125.605 1.562 . . . . 0.0 108.67 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t30 38.64 33.29 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.254 2.222 . . . . 0.0 113.956 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' HG23 ' A' ' 27' ' ' ILE . 75.3 m -118.39 158.86 24.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.853 0.861 . . . . 0.0 111.418 -169.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.24 6.74 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -172.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.33 93.47 6.89 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.08 177.33 6.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 121.323 -0.86 . . . . 0.0 112.034 -169.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 57.76 51.36 9.38 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.108 1.363 . . . . 0.0 111.055 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.8 m 47.52 47.91 17.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.011 1.724 . . . . 0.0 115.046 -174.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -75.18 163.06 27.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 167.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -140.44 131.61 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -134.03 151.28 51.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.0 0.818 . . . . 0.0 110.741 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -138.86 113.77 9.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 56.38 13.98 1.46 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.1 m -84.4 155.15 22.42 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.88 1.218 . . . . 0.0 110.3 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -101.4 133.92 45.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.414 1.486 . . . . 0.0 107.102 171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.28 132.1 52.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.519 -1.659 . . . . 0.0 106.519 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 m -138.79 117.12 11.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 45.46 39.65 4.84 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.355 1.862 . . . . 0.0 113.322 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.87 171.7 7.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.139 1.375 . . . . 0.0 111.928 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.96 143.27 40.63 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.353 1.061 . . . . 0.0 109.222 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.81 131.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.272 1.029 . . . . 0.0 108.534 -169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -132.8 126.57 32.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.601 0.761 . . . . 0.0 109.09 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt 32.47 50.1 0.18 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.071 2.148 . . . . 0.0 113.527 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -122.76 159.81 27.25 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.26 136.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.8 t -140.86 145.68 36.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.584 0.629 . . . . 0.0 110.845 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 m -136.43 112.83 9.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 46.03 56.13 6.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.279 2.232 . . . . 0.0 112.669 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.18 171.32 7.48 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.248 1.019 . . . . 0.0 110.362 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -130.67 110.46 11.39 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.4 mt -122.62 114.24 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -169.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -122.44 131.09 53.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.848 0.859 . . . . 0.0 108.914 -169.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.04 27.06 3.06 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.885 1.674 . . . . 0.0 113.678 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.5 m -115.53 163.7 15.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.588 0.755 . . . . 0.0 111.162 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -121.42 137.24 54.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.07 131.77 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -142.9 132.91 24.27 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.578 0.751 . . . . 0.0 109.187 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.8 mt 48.46 23.55 0.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.35 1.46 . . . . 0.0 114.403 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.4 m -104.79 162.03 13.66 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.972 -1.08 . . . . 0.0 110.652 -169.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.8 m -127.03 128.37 46.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.943 1.297 . . . . 0.0 107.707 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.82 129.75 50.04 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.195 0.998 . . . . 0.0 108.905 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -135.11 117.12 15.31 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.63 36.0 53.34 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.187 -0.785 . . . . 0.0 113.135 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -126.7 174.07 9.02 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.756 1.222 . . . . 0.0 109.977 -170.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -142.98 131.36 22.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -120.39 140.83 50.75 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.67 116.14 11.25 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.13 43.17 99.51 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.689 -1.062 . . . . 0.0 113.395 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -120.81 164.32 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.998 1.399 . . . . 0.0 111.318 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -120.33 125.68 48.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.385 -2.82 . . . . 0.0 103.385 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -138.05 132.21 42.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -131.76 132.11 43.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.072 0.949 . . . . 0.0 108.925 -170.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 51.86 30.97 7.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.876 1.27 . . . . 0.0 113.932 169.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -117.03 174.84 5.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.619 0.768 . . . . 0.0 111.694 -169.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -134.51 135.55 42.45 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.44 1.096 . . . . 0.0 108.117 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -134.73 131.22 37.36 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 m -132.64 126.66 33.16 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 34.83 53.79 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 117.692 -1.616 . . . . 0.0 114.448 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -134.81 149.45 50.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.664 2.232 . . . . 0.0 111.448 -169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -104.65 139.63 39.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.82 128.6 37.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.321 0 C-N-CA 124.565 1.146 . . . . 0.0 109.561 -173.418 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -139.41 126.32 20.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.294 1.438 . . . . 0.0 107.21 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -137.48 138.85 44.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -139.4 144.24 38.03 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.468 0.707 . . . . 0.0 109.996 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 p 45.78 39.13 4.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.776 2.03 . . . . 0.0 113.699 170.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -112.31 163.47 14.35 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.968 0.907 . . . . 0.0 110.568 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.1 m -129.86 129.1 43.52 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 171.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -136.4 133.39 49.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 -169.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -134.72 123.64 23.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 41.74 42.72 2.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.999 1.72 . . . . 0.0 113.92 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.41 0.01 70.72 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.447 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.2 112.9 42.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 169.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.99 132.03 45.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.608 0.64 . . . . 0.0 110.276 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -126.97 137.99 53.2 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.3 141.45 30.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -154.22 141.11 19.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.556 1.142 . . . . 0.0 109.065 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.17 21.55 73.88 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.865 -0.964 . . . . 0.0 113.993 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.73 162.86 14.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.771 1.286 . . . . 0.0 112.32 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -133.35 134.1 43.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.969 -2.234 . . . . 0.0 104.969 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.5 mp -127.77 141.01 51.7 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 m -149.13 167.39 26.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.569 1.148 . . . . 0.0 109.972 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.49 -178.5 1.78 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.173 0.589 . . . . 0.0 110.453 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.922 1.289 . . . . 0.0 108.08 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -80.52 128.73 33.93 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.586 -0.696 . . . . 0.0 109.358 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -84.85 -56.6 3.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.765 1.226 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -159.64 11.76 0.13 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.884 1.274 . . . . 0.0 111.986 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -71.08 157.38 38.28 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.939 -1.1 . . . . 0.0 110.799 -174.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -99.91 123.92 44.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 mm -124.65 120.05 57.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 -176.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -68.78 167.08 16.19 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.291 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -26.82 56.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.619 1.167 . . . . 0.0 113.812 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -110.17 -1.92 17.15 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.486 0.714 . . . . 0.0 112.176 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.4 m -79.21 167.21 21.29 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -144.26 161.19 39.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.608 0.763 . . . . 0.0 109.439 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 p -133.83 32.9 3.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.686 1.995 . . . . 0.0 111.219 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 t -48.04 119.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.145 1.778 . . . . 0.0 111.371 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt 35.87 40.05 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.535 2.334 . . . . 0.0 114.292 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -127.1 156.45 41.71 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.779 0.832 . . . . 0.0 108.989 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -93.96 142.87 26.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.23 130.88 25.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.67 85.43 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -169.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.75 44.21 28.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.057 1.743 . . . . 0.0 111.871 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 m -87.44 175.04 8.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.576 1.151 . . . . 0.0 108.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -126.21 120.9 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 30' ' ' SER . 5.8 mt -132.09 110.07 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 -174.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -119.45 124.94 47.72 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.902 1.281 . . . . 0.0 109.409 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t30 38.15 36.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.255 2.222 . . . . 0.0 113.613 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -123.01 153.14 40.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 121.881 0.848 . . . . 0.0 111.72 -169.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -119.23 91.97 3.68 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -169.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -82.33 119.92 24.75 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.57 162.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 118.815 0.734 . . . . 0.0 111.574 -171.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t0 36.38 88.32 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 128.76 2.824 . . . . 0.0 114.583 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.77 32.28 9.32 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -76.73 169.7 17.82 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.25 140.6 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.9 p -128.48 152.41 48.29 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.6 m -141.49 109.28 5.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.8 tpt85 55.11 16.24 1.51 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.995 1.318 . . . . 0.0 114.047 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -83.25 160.79 21.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.025 -1.047 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -118.07 124.7 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.899 1.68 . . . . 0.0 107.26 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -113.94 144.05 43.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -146.71 119.04 8.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 45.34 42.84 7.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.615 1.966 . . . . 0.0 113.413 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.86 9.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.343 1.457 . . . . 0.0 111.988 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.8 139.66 38.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.201 -0.937 . . . . 0.0 109.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.27 129.47 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.1 128.77 32.82 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.915 0.886 . . . . 0.0 109.711 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 30.99 52.13 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.346 2.258 . . . . 0.0 113.087 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.6 m -127.04 164.04 22.41 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.2 130.28 74.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -171.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -144.37 142.83 30.62 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.544 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -136.67 119.3 16.02 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 107.855 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 43.98 59.38 3.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.08 2.152 . . . . 0.0 112.234 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.46 168.9 9.46 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.468 0.707 . . . . 0.0 110.286 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -129.06 114.15 16.03 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.08 107.93 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.64 127.05 50.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -170.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp 50.56 31.59 5.81 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.9 1.28 . . . . 0.0 112.968 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -122.01 163.62 19.05 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.007 0.923 . . . . 0.0 110.613 -169.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.82 139.83 53.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.26 129.96 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -136.96 136.93 38.98 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.82 31.19 3.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.04 1.336 . . . . 0.0 114.177 173.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -116.25 164.23 14.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.88 1.272 . . . . 0.0 110.949 -169.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.6 m -125.48 135.76 52.65 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.46 1.104 . . . . 0.0 108.67 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 t -132.85 128.61 37.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.216 1.007 . . . . 0.0 109.263 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 m -137.72 123.55 20.03 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.24 37.82 47.88 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 123.56 0.6 . . . . 0.0 112.795 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.1 m -130.79 169.76 15.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.171 1.388 . . . . 0.0 109.301 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -136.39 146.05 46.03 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -124.72 130.8 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.9 116.08 15.2 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.81 45.62 94.67 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.8 -1.0 . . . . 0.0 113.244 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.71 160.84 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.296 1.548 . . . . 0.0 109.803 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.27 12.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 tt -117.6 134.63 60.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.93 0.892 . . . . 0.0 109.074 -171.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -138.8 139.9 38.39 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.554 0.342 . . . . 0.0 111.513 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.3 m 51.65 34.27 12.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.208 1.403 . . . . 0.0 113.084 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.3 m -122.7 179.46 4.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.008 0.923 . . . . 0.0 112.123 -169.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -146.08 137.7 24.89 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.578 -1.326 . . . . 0.0 108.697 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 p -138.25 129.04 26.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -136.58 117.91 14.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.34 45.25 96.34 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.076 -0.847 . . . . 0.0 111.831 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.474 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -140.98 114.98 9.13 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.693 1.247 . . . . 0.0 111.247 -169.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.6 m -88.35 130.62 35.1 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.9 132.46 43.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 124.456 1.102 . . . . 0.0 109.586 -174.66 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 t -132.03 140.87 49.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.005 1.322 . . . . 0.0 108.032 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.4 mt -137.84 137.44 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 m -139.32 145.4 39.02 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.044 0.538 . . . . 0.0 110.922 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p 43.64 44.48 5.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.795 1.638 . . . . 0.0 114.18 168.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.8 t -126.16 156.17 40.57 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.686 -0.634 . . . . 0.0 111.059 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.6 m -123.25 135.46 54.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.3 mt -136.75 130.19 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 m -131.81 122.85 26.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 38.96 51.75 1.9 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.769 1.628 . . . . 0.0 112.503 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.474 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.56 -7.02 70.52 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.797 -1.002 . . . . 0.0 114.343 173.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.82 109.09 23.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 119.384 1.592 . . . . 0.0 107.058 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 169.647 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.75 121.18 6.73 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.976 0.91 . . . . 0.0 110.475 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -131.63 134.19 45.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.52 136.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 -178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.8 m -141.96 123.18 14.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.495 1.118 . . . . 0.0 108.375 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.64 17.49 78.08 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.57 -1.128 . . . . 0.0 114.897 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 163.88 12.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.287 1.543 . . . . 0.0 112.469 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.3 m -137.43 143.4 41.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.587 2.755 . . . . 0.0 104.557 169.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -147.9 166.15 28.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.975 0.807 . . . . 0.0 111.995 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.1 m -144.77 141.13 28.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.996 1.719 . . . . 0.0 108.251 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.82 145.91 40.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.08 0.552 . . . . 0.0 110.343 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 C--O 1.249 1.037 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 169.234 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -140.85 129.26 22.51 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.279 0.632 . . . . 0.0 109.671 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -79.81 -67.59 0.75 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -159.16 34.11 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.213 2.205 . . . . 0.0 109.855 -175.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -79.64 160.71 26.25 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 120.78 -1.2 . . . . 0.0 110.381 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.78 132.81 43.06 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.47 111.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 169.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -70.77 169.1 15.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 111.297 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.77 46.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.111 1.364 . . . . 0.0 114.415 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -117.17 6.78 12.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.698 0.799 . . . . 0.0 111.997 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -82.55 172.05 13.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.755 -0.59 . . . . 0.0 109.623 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -141.24 154.03 45.56 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.022 0.929 . . . . 0.0 109.485 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.96 28.82 2.59 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.451 1.501 . . . . 0.0 111.618 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -56.36 130.49 19.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 124.075 0.95 . . . . 0.0 110.905 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 pttt 37.47 40.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.726 2.41 . . . . 0.0 112.961 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -132.8 167.17 20.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.159 1.384 . . . . 0.0 108.674 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -125.04 134.48 52.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.6 122.59 26.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.408 0.683 . . . . 0.0 109.355 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -114.56 96.2 5.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 40.5 48.19 2.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 -173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.1 m -85.07 174.37 9.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -133.87 112.09 11.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HB2' ' A' ' 30' ' ' SER . 33.9 mt -122.62 110.91 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -169.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -115.2 116.47 28.41 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.256 1.822 . . . . 0.0 108.495 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 41.95 34.11 0.42 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.322 1.849 . . . . 0.0 114.351 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.453 ' HB2' HG23 ' A' ' 27' ' ' ILE . 68.4 m -121.62 151.47 40.37 Favored 'General case' 0 CA--C 1.526 0.053 0 O-C-N 121.293 -0.879 . . . . 0.0 112.039 -169.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.31 93.11 4.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.78 108.04 16.57 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.61 165.62 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.341 1.428 . . . . 0.0 112.172 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 52.84 72.5 0.41 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 126.435 1.894 . . . . 0.0 113.3 172.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.25 1.1 m 50.72 36.86 15.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.336 1.854 . . . . 0.0 114.0 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -78.78 151.52 31.94 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.18 130.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -172.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -132.38 150.86 52.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.678 0.672 . . . . 0.0 110.301 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -138.62 111.42 7.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 55.98 16.21 2.07 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -85.12 154.91 21.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.339 0.972 . . . . 0.0 109.996 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -100.56 133.98 44.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.359 1.464 . . . . 0.0 107.101 170.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.69 133.05 53.34 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 169.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -139.29 117.84 12.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.61 41.88 3.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.582 1.953 . . . . 0.0 113.38 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.39 166.0 15.41 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.324 1.45 . . . . 0.0 111.884 -169.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.12 144.56 50.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.304 1.042 . . . . 0.0 109.184 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 132.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 123.977 0.911 . . . . 0.0 109.081 -169.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -130.66 125.95 35.33 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt 35.38 49.53 0.49 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.237 2.215 . . . . 0.0 113.568 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -123.36 158.46 31.02 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.76 133.18 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -172.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 t -138.96 144.08 38.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.7 m -136.51 114.94 11.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.802 1.241 . . . . 0.0 107.782 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 47.24 51.8 12.82 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.595 1.958 . . . . 0.0 112.697 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -107.44 172.51 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.587 0.755 . . . . 0.0 110.729 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -135.66 102.11 4.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.7 mt -117.6 118.46 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -168.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.06 131.95 50.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.92 0.888 . . . . 0.0 109.115 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttp 50.75 29.16 4.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.915 1.686 . . . . 0.0 113.643 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -118.11 163.48 16.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.671 0.788 . . . . 0.0 110.935 -170.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -123.38 134.86 53.95 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.49 133.92 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.604 1.162 . . . . 0.0 108.223 -168.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.44 133.79 29.82 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.1 mt 47.06 27.67 0.79 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.021 1.328 . . . . 0.0 114.298 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -109.25 162.34 14.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.54 1.136 . . . . 0.0 110.94 -169.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m -127.26 128.48 46.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.555 1.142 . . . . 0.0 108.052 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.1 t -126.58 130.64 50.91 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.08 0.952 . . . . 0.0 109.105 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.7 m -135.79 120.57 18.47 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.46 43.05 51.96 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.754 171.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -136.62 171.3 14.69 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.192 0.997 . . . . 0.0 111.077 -170.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -133.71 140.76 47.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -122.75 140.73 52.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.62 116.69 12.5 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.7 45.3 94.81 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.575 -1.125 . . . . 0.0 113.357 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.2 164.58 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 119.11 1.455 . . . . 0.0 111.453 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -123.6 119.45 29.91 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 169.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -135.76 128.21 46.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -131.36 138.84 49.33 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.775 0.43 . . . . 0.0 110.526 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 53.05 30.38 9.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.493 1.517 . . . . 0.0 113.632 171.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.2 m -117.78 175.29 5.72 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.758 0.823 . . . . 0.0 111.951 -169.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -136.74 138.14 40.66 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.439 1.096 . . . . 0.0 108.742 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 p -138.24 127.3 24.15 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.314 1.046 . . . . 0.0 108.611 -177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 m -138.32 117.75 12.88 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.25 1.02 . . . . 0.0 109.314 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.69 43.14 99.4 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 121.568 -0.708 . . . . 0.0 111.61 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -132.72 154.05 50.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.951 0.875 . . . . 0.0 111.134 -169.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -126.33 132.13 51.67 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 169.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.5 mm -127.36 130.96 70.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 -169.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.722 -0.611 . . . . 0.0 110.193 179.462 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.1 m -136.71 127.25 26.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.385 1.474 . . . . 0.0 107.557 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 mt -138.05 132.13 42.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -134.71 131.94 38.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.874 0.869 . . . . 0.0 108.96 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.255 7.6 p 48.21 32.01 2.88 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.844 1.658 . . . . 0.0 114.634 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 98.5 m -91.77 160.68 15.21 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.284 -0.885 . . . . 0.0 111.127 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.2 m -130.12 123.18 29.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.451 HG22 HG21 ' A' ' 86' ' ' THR . 7.9 mt -132.23 131.61 60.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -170.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 m -137.96 137.91 38.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -174.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 40.06 46.18 1.77 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.119 1.767 . . . . 0.0 113.66 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 86' ' ' THR . . . 86.43 1.87 85.57 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 117.509 -1.717 . . . . 0.0 115.093 172.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 p -131.73 138.39 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.443 2.122 . . . . 0.0 110.536 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 C-N-CA 123.329 0.652 . . . . 0.0 109.81 176.386 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 54.0 t -73.75 130.15 39.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.251 0.932 . . . . 0.0 109.277 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -131.01 132.32 44.9 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -143.72 146.32 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.244 1.018 . . . . 0.0 108.876 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m -157.55 146.04 19.34 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.281 1.032 . . . . 0.0 109.582 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.12 73.29 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.949 -0.917 . . . . 0.0 113.747 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 77.7 m -115.01 159.62 20.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.576 1.188 . . . . 0.0 112.059 -171.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.8 m -130.53 144.82 51.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.176 2.19 . . . . 0.0 106.256 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -129.12 143.55 50.9 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.628 1.171 . . . . 0.0 108.474 -174.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.4 m -142.32 152.01 42.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 108.876 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.38 30.51 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.464 0.706 . . . . 0.0 109.887 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 81.4 mmm . . . . . 0 C--O 1.251 1.149 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 169.276 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -80.76 121.49 25.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -78.93 -56.43 4.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.829 0.852 . . . . 0.0 109.541 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -162.53 15.54 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.049 1.339 . . . . 0.0 111.556 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -73.09 161.86 30.13 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.672 1.189 . . . . 0.0 111.055 -174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.86 135.11 49.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.435 1.494 . . . . 0.0 107.225 175.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.66 115.58 17.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -70.65 168.17 17.05 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.257 0.551 . . . . 0.0 111.579 -176.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 -27.25 61.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.93 1.292 . . . . 0.0 114.411 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -114.18 4.16 15.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.547 0.739 . . . . 0.0 111.97 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.2 m -81.73 166.13 20.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 169.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.37 150.82 39.67 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 t -133.98 124.67 26.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.14 133.9 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 pttt 38.28 44.5 0.7 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.69 2.396 . . . . 0.0 113.591 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -136.9 177.73 7.63 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.107 1.363 . . . . 0.0 108.95 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -122.16 142.77 50.07 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.47 122.23 18.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 88.49 2.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -170.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.42 51.69 16.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.456 1.902 . . . . 0.0 111.588 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.38 175.1 5.81 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.175 0.99 . . . . 0.0 109.878 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.72 122.96 24.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' A' ' 30' ' ' SER . 21.3 mt -128.67 105.83 13.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 -169.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -110.63 115.66 29.98 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 125.734 1.614 . . . . 0.0 108.353 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t30 41.3 34.62 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.221 1.808 . . . . 0.0 113.961 -171.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.1 m -120.57 158.81 26.53 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.081 0.953 . . . . 0.0 111.23 -169.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -124.91 130.75 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -129.84 115.93 17.95 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.583 1.153 . . . . 0.0 108.053 -174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -142.33 164.46 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 50.54 74.81 0.2 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 127.732 2.413 . . . . 0.0 114.728 169.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m 50.13 41.58 23.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.257 1.823 . . . . 0.0 114.302 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -78.44 157.24 29.03 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 167.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.2 mt -139.25 96.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.4 t -87.68 143.88 26.94 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -137.99 122.95 19.0 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 45.31 23.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.322 2.649 . . . . 0.0 116.165 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -99.53 162.34 13.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.951 0.796 . . . . 0.0 110.997 -171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -110.64 129.49 55.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -117.31 136.98 52.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 m -141.59 115.46 9.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 44.09 43.52 5.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.842 2.057 . . . . 0.0 113.138 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.31 169.28 11.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.033 1.333 . . . . 0.0 112.222 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -131.08 140.61 50.07 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.108 0.963 . . . . 0.0 109.209 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.49 128.34 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -136.2 130.96 33.96 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.503 0.721 . . . . 0.0 109.509 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 35.76 48.85 0.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.664 1.986 . . . . 0.0 113.091 -176.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.8 m -128.32 155.87 43.96 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.41 136.15 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 -169.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -132.68 158.37 42.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 110.988 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -148.02 112.83 5.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 169.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 49.9 59.92 4.18 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 112.571 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 m -117.39 166.75 11.95 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.793 0.837 . . . . 0.0 110.582 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -131.13 122.31 26.45 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.7 mt -129.56 101.59 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -111.92 129.03 56.31 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 46.91 36.32 3.9 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.804 1.642 . . . . 0.0 113.306 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -121.73 166.79 13.78 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.513 0.725 . . . . 0.0 111.283 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -129.03 132.4 47.48 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.42 131.53 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -169.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -139.87 132.73 29.21 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt 49.25 27.37 1.84 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.324 1.05 . . . . 0.0 113.507 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -111.95 160.54 17.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.413 1.085 . . . . 0.0 111.231 -168.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 m -124.97 129.65 50.77 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.534 1.133 . . . . 0.0 108.103 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.47 126.02 43.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.048 0.939 . . . . 0.0 108.884 -174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -132.6 119.1 20.02 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.58 39.63 60.96 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.936 -0.925 . . . . 0.0 112.631 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -133.9 163.35 29.71 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.169 0.984 . . . . 0.0 112.54 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -120.27 136.7 54.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.201 1.0 . . . . 0.0 108.887 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -118.09 134.22 55.19 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 170.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -142.09 101.74 3.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.168 0.587 . . . . 0.0 109.568 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.32 43.83 68.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.997 -0.89 . . . . 0.0 112.896 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.77 163.69 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 118.902 1.351 . . . . 0.0 111.826 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -120.1 123.92 44.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.5 tt -136.92 132.07 47.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -136.97 133.54 35.71 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.835 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.6 m 52.33 32.46 11.07 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.914 1.285 . . . . 0.0 113.285 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -121.04 175.32 6.13 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.849 0.86 . . . . 0.0 112.053 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -137.72 138.58 39.48 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.205 1.002 . . . . 0.0 108.839 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 p -137.47 132.02 32.73 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.8 m -137.51 116.63 12.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.28 1.032 . . . . 0.0 108.687 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.03 53.59 45.17 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -139.73 159.49 42.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 117.888 0.844 . . . . 0.0 111.881 -169.369 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 m -130.75 128.56 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.67 130.87 64.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 N--CA 1.45 -0.447 0 C-N-CA 124.432 1.093 . . . . 0.0 110.847 -173.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.8 m -143.25 127.03 17.13 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.7 mt -137.39 136.99 46.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 125.396 1.478 . . . . 0.0 107.189 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.3 m -139.03 141.74 38.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.115 0.566 . . . . 0.0 109.629 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 p 45.95 36.92 3.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.562 1.945 . . . . 0.0 114.132 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -112.29 160.94 17.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 110.351 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.2 m -128.18 135.89 50.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 mt -137.46 129.69 41.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 m -133.68 125.33 28.42 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 41.59 48.52 3.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.688 1.195 . . . . 0.0 112.173 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.531 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.05 -16.19 17.55 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-O 118.897 -0.946 . . . . 0.0 114.247 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.06 104.25 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 119.434 1.617 . . . . 0.0 107.361 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.778 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.3 t -71.49 123.84 23.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.215 0.916 . . . . 0.0 108.778 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -120.26 139.81 52.14 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.99 131.71 52.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 m -138.56 22.55 2.71 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.73 48.01 0.01 OUTLIER Glycine 0 N--CA 1.467 0.76 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.548 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.3 m -122.79 163.07 20.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.038 0.919 . . . . 0.0 112.618 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 m -128.26 141.82 51.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 169.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -147.91 166.84 26.44 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.544 0.611 . . . . 0.0 111.298 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.0 m -157.24 164.42 37.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.597 1.559 . . . . 0.0 108.96 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.87 155.89 38.28 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.756 0.422 . . . . 0.0 110.111 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.255 1.022 . . . . 0.0 108.468 169.425 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 103.253 -2.869 . . . . 0.0 103.253 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -75.06 117.09 16.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.033 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -83.92 -56.82 3.48 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -164.12 54.5 0.15 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.015 1.726 . . . . 0.0 107.35 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -123.66 169.1 11.82 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.293 1.437 . . . . 0.0 112.143 -168.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -126.41 133.73 51.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.957 1.303 . . . . 0.0 107.691 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -129.87 118.27 43.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 p -72.68 166.08 23.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.183 0.516 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -26.57 60.49 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.024 1.329 . . . . 0.0 114.394 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -115.3 3.72 14.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 111.96 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -78.53 168.76 19.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -140.11 151.11 45.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.1 t -134.62 118.02 16.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 t -130.54 120.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 50.3 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.492 2.317 . . . . 0.0 115.289 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 m -98.77 159.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.006 0.922 . . . . 0.0 110.956 -168.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -105.89 141.92 36.48 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.4 102.61 6.96 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -99.14 81.87 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 50.77 77.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.048 1.739 . . . . 0.0 111.947 -169.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -130.9 167.76 18.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.567 1.147 . . . . 0.0 109.928 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -134.41 114.97 13.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -120.67 108.69 23.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -169.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.03 117.47 33.42 Favored 'General case' 0 CA--C 1.526 0.041 0 C-N-CA 126.388 1.875 . . . . 0.0 108.563 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 40.22 33.95 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.741 2.016 . . . . 0.0 114.638 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.454 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -117.09 154.73 30.5 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.228 -0.92 . . . . 0.0 111.587 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -121.08 95.25 4.62 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -169.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.9 tp -95.57 121.53 37.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.052 1.341 . . . . 0.0 107.685 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.9 167.28 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 119.024 0.829 . . . . 0.0 112.487 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t0 53.81 61.71 2.96 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.787 2.035 . . . . 0.0 112.871 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 49.04 45.85 22.74 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -74.16 159.43 32.57 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.812 -1.922 . . . . 0.0 105.812 167.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.5 98.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.2 144.17 27.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -140.87 128.86 21.95 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 52.87 19.92 1.47 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.84 1.656 . . . . 0.0 114.62 173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 m -107.23 159.12 16.58 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.741 1.155 . . . . 0.0 113.3 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -106.38 126.74 52.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.918 1.687 . . . . 0.0 106.889 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.47 132.59 56.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 169.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.6 m -140.77 117.31 10.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 44.79 41.14 4.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.94 2.096 . . . . 0.0 113.101 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.87 171.75 8.68 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.059 1.344 . . . . 0.0 112.321 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -133.37 139.13 46.64 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.862 0.865 . . . . 0.0 108.776 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.77 127.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -132.33 127.64 36.01 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.798 0.839 . . . . 0.0 108.963 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttm 34.11 52.15 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.819 2.048 . . . . 0.0 112.656 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -127.98 160.1 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.33 136.1 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -133.42 151.89 51.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.366 0.53 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.5 m -138.9 113.24 8.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 169.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.03 65.76 1.33 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.371 1.868 . . . . 0.0 110.978 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.5 t -124.23 164.52 19.37 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.649 1.18 . . . . 0.0 109.615 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -127.35 129.09 46.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -124.15 100.18 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -109.89 128.03 55.09 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 51.02 26.45 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.803 1.641 . . . . 0.0 113.695 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -114.06 167.17 10.89 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.488 0.715 . . . . 0.0 111.499 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -126.75 127.39 44.99 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.42 132.04 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.037 0.935 . . . . 0.0 108.492 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.18 132.58 30.13 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.185 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt 48.06 32.43 2.93 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.31 0.959 . . . . 0.0 113.197 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -116.99 160.11 21.46 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.208 1.003 . . . . 0.0 110.54 -169.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.5 m -127.38 132.62 50.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 108.502 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -125.06 132.5 53.17 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.973 0.909 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -132.84 118.08 18.53 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.32 31.74 63.0 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 118.926 -0.93 . . . . 0.0 113.468 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.4 m -127.66 171.14 11.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.405 1.102 . . . . 0.0 111.121 -170.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -140.44 127.47 20.8 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.568 1.147 . . . . 0.0 107.948 -169.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -112.53 143.53 43.52 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.41 116.33 10.93 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.51 43.04 99.59 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 118.37 -1.239 . . . . 0.0 113.479 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -119.79 162.2 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 119.428 1.614 . . . . 0.0 111.198 -176.473 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -120.05 122.77 41.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.348 -2.464 . . . . 0.0 104.348 169.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -139.59 130.91 33.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 118.509 0.595 . . . . 0.0 109.525 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -131.53 146.56 52.28 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m 53.22 31.46 11.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.852 1.261 . . . . 0.0 113.17 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -123.15 175.14 6.82 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.715 0.689 . . . . 0.0 112.729 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -136.56 139.64 42.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.358 1.063 . . . . 0.0 108.437 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -135.6 131.85 36.36 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -134.33 126.08 28.93 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.629 0.772 . . . . 0.0 108.919 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.47 42.23 50.43 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 118.279 -1.29 . . . . 0.0 114.0 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -139.53 157.01 46.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.341 2.071 . . . . 0.0 111.544 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -114.62 137.93 51.29 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.38 123.15 26.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 -171.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.235 0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 111.094 -169.658 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 11.9 t . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -134.2 128.01 33.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -137.81 138.81 43.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 124.915 1.286 . . . . 0.0 107.597 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.9 m -140.53 144.44 35.95 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.649 0.379 . . . . 0.0 110.127 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 p 46.82 41.34 10.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.165 1.386 . . . . 0.0 113.757 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.8 t -125.38 164.18 20.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.256 1.023 . . . . 0.0 110.807 -170.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -126.17 137.17 53.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 169.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.66 129.63 61.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.7 m -131.96 120.58 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 41.0 46.79 2.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.394 1.478 . . . . 0.0 113.169 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.74 -0.6 86.66 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.736 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.8 t -107.99 109.57 28.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 171.241 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 119.088 -0.482 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.07 120.61 15.19 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -112.29 144.25 42.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.7 tt -149.61 152.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 124.184 0.994 . . . . 0.0 110.225 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -158.31 152.62 24.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.927 1.291 . . . . 0.0 109.468 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.82 36.67 50.6 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 125.758 1.647 . . . . 0.0 114.215 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.1 t -123.98 156.99 35.42 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.105 0.953 . . . . 0.0 112.757 -169.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -132.69 139.69 47.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.441 1.896 . . . . 0.0 106.872 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.53 149.31 45.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.72 0.808 . . . . 0.0 108.913 -171.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 m -147.0 157.22 43.55 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 110.258 -173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.34 138.8 43.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 C--O 1.247 0.946 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.502 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.234 0.243 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -74.94 108.7 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -75.98 -58.03 3.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.775 0.43 . . . . 0.0 109.989 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -162.65 40.74 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.559 1.543 . . . . 0.0 109.318 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -113.86 170.21 8.43 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.478 1.911 . . . . 0.0 111.199 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -112.22 133.68 54.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 173.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 116.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 103.198 -2.89 . . . . 0.0 103.198 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.6 p -68.69 168.61 12.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 111.401 -172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.15 -27.06 52.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.568 1.147 . . . . 0.0 113.734 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -108.76 -5.79 16.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.166 0.587 . . . . 0.0 112.331 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -73.88 170.58 15.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -151.63 142.13 22.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.914 -1.116 . . . . 0.0 108.648 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.91 146.26 40.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -148.77 138.24 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -176.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 40.52 34.0 0.21 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.644 1.978 . . . . 0.0 115.349 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 m -138.03 166.05 25.07 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.231 1.812 . . . . 0.0 109.184 -171.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -126.27 136.56 52.93 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.06 126.24 42.71 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.73 86.97 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 47.37 55.28 8.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.473 1.909 . . . . 0.0 112.195 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -100.53 170.92 8.05 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.167 0.587 . . . . 0.0 109.417 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -134.05 113.52 12.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.1 mt -124.45 110.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -169.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.92 122.8 42.04 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.929 1.291 . . . . 0.0 109.023 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t30 41.02 36.85 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.769 2.028 . . . . 0.0 113.076 -169.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.428 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.6 m -127.69 170.09 13.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.908 0.883 . . . . 0.0 112.145 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -131.91 140.4 49.04 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.835 -0.541 . . . . 0.0 111.734 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.71 96.4 3.81 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.803 1.641 . . . . 0.0 107.638 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 169.16 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 57.34 53.21 7.82 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.965 1.706 . . . . 0.0 112.353 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.371 2.4 m 52.32 49.62 20.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -174.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 m -78.68 157.0 28.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.3 131.88 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -130.21 138.68 50.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -139.04 126.39 21.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 44.19 38.34 2.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.633 1.973 . . . . 0.0 115.054 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -120.33 166.13 13.93 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.919 0.888 . . . . 0.0 111.492 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -119.04 125.91 50.46 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.703 1.601 . . . . 0.0 107.633 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -115.48 134.85 54.69 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 m -140.37 116.12 10.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 45.77 39.22 4.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.135 1.774 . . . . 0.0 113.357 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.79 170.85 11.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.589 1.556 . . . . 0.0 112.107 -169.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -138.01 139.35 39.59 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.945 -1.097 . . . . 0.0 109.802 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -136.25 129.91 47.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -174.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -133.42 127.99 34.55 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.251 1.02 . . . . 0.0 108.401 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 36.81 43.71 0.3 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.879 2.072 . . . . 0.0 114.005 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -122.39 155.26 36.44 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 121.327 -0.858 . . . . 0.0 109.344 -173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 113.74 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.254 1.3 m -129.02 134.17 48.03 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -168.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -136.06 126.36 26.55 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.862 1.265 . . . . 0.0 107.805 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 47.24 61.72 2.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.531 1.533 . . . . 0.0 112.601 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.6 m -127.1 165.3 19.79 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.846 -0.534 . . . . 0.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.05 112.17 12.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.9 mt -122.24 107.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -118.07 129.78 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.82 35.53 1.51 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.281 1.832 . . . . 0.0 114.209 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.7 m -119.78 165.16 14.91 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.646 0.778 . . . . 0.0 110.74 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -124.98 140.65 52.73 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.9 t -135.62 130.95 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.75 130.27 29.59 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp 48.49 27.69 1.5 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.003 1.721 . . . . 0.0 113.521 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -107.57 164.18 12.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.917 1.287 . . . . 0.0 110.6 -169.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 m -124.55 129.25 50.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.7 t -125.78 128.11 47.2 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.259 1.024 . . . . 0.0 108.317 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -137.0 120.16 16.69 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.73 39.81 62.34 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.228 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.0 m -135.57 169.62 17.23 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.842 -169.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -133.9 141.7 47.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -124.22 132.18 53.58 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.65 97.83 3.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.152 0.581 . . . . 0.0 109.691 -175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.9 46.89 63.75 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 118.929 -0.928 . . . . 0.0 112.339 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.96 167.54 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.67 1.235 . . . . 0.0 111.354 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -126.4 123.46 37.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -137.11 132.74 47.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -134.52 133.53 40.43 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.125 0.97 . . . . 0.0 109.319 -169.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m 51.02 31.48 6.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.329 1.452 . . . . 0.0 113.676 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -117.29 175.23 5.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.946 0.898 . . . . 0.0 111.538 -169.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -135.74 134.91 39.55 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.1 p -136.98 126.15 24.62 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.2 m -137.06 117.22 13.44 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.239 1.016 . . . . 0.0 108.769 -171.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.51 46.97 93.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 121.664 -0.648 . . . . 0.0 111.482 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -138.45 142.88 39.46 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.945 0.872 . . . . 0.0 110.152 -169.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -119.95 131.67 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -134.64 132.09 54.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.45 -0.444 0 C-N-CA 125.515 1.526 . . . . 0.0 110.767 -176.79 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.7 m -139.07 123.74 18.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -136.04 133.23 50.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -137.93 137.24 37.8 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.686 0.794 . . . . 0.0 109.407 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.267 7.7 p 47.94 32.56 2.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.45 161.04 14.8 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 121.383 -0.823 . . . . 0.0 111.045 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.2 m -129.38 127.67 41.49 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 169.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.4 HG22 HG21 ' A' ' 86' ' ' THR . 5.8 mt -136.82 128.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 -170.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.2 m -137.38 134.94 36.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 44.72 44.51 7.6 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.917 1.287 . . . . 0.0 112.216 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.48 ' H ' HG22 ' A' ' 86' ' ' THR . . . 80.89 10.96 84.41 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 117.65 -1.639 . . . . 0.0 115.224 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.63 139.06 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 120.662 2.231 . . . . 0.0 110.361 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 0 C-N-CA 123.719 0.808 . . . . 0.0 110.204 176.698 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.18 129.49 38.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.2 0.909 . . . . 0.0 108.961 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -129.33 126.41 38.88 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 171.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.7 tt -141.49 139.2 32.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 124.013 0.925 . . . . 0.0 109.325 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 m -149.09 145.6 27.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.781 1.232 . . . . 0.0 108.94 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.36 19.96 64.91 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.611 -1.105 . . . . 0.0 115.386 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.53 160.94 14.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 112.123 -174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -138.31 131.58 30.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 169.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.46 162.92 37.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.95 0.796 . . . . 0.0 111.713 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m -148.92 163.49 37.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.119 1.768 . . . . 0.0 108.963 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.19 156.93 38.62 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.238 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.248 0.994 0 C-N-CA 124.363 1.065 . . . . 0.0 108.858 169.386 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 105.006 -2.22 . . . . 0.0 105.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -103.82 129.89 51.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.604 0.761 . . . . 0.0 109.883 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -80.82 -63.73 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -155.76 13.52 0.34 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.203 1.801 . . . . 0.0 112.004 -170.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.405 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.3 m -65.91 160.44 23.38 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.383 1.073 . . . . 0.0 111.015 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -112.57 135.06 53.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.116 0.966 . . . . 0.0 109.261 173.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 120.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -70.4 168.43 16.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.199 0.523 . . . . 0.0 111.555 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.8 61.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.531 1.132 . . . . 0.0 113.759 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -111.07 1.59 17.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.523 0.729 . . . . 0.0 112.125 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.4 m -81.73 167.25 19.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -144.14 151.54 39.68 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.635 -0.666 . . . . 0.0 109.3 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -132.76 120.32 21.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 169.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -137.31 125.94 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -171.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? 38.71 38.73 0.28 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.736 2.015 . . . . 0.0 112.998 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -135.72 162.92 31.41 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.301 1.441 . . . . 0.0 108.704 -170.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -116.99 138.9 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -172.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.56 112.57 9.66 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -108.52 94.9 5.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.13 57.55 4.67 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.119 1.768 . . . . 0.0 112.495 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' H ' ' CB ' ' A' ' 9' ' ' SER . 23.8 m -102.1 173.6 6.31 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.735 1.214 . . . . 0.0 109.576 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -124.51 127.02 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -135.37 106.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.46 124.99 47.85 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.971 1.308 . . . . 0.0 108.357 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t30 39.19 30.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.304 2.241 . . . . 0.0 113.958 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.6 m -117.43 155.15 30.16 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.731 0.812 . . . . 0.0 111.418 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -124.32 118.82 27.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 -169.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -119.03 101.57 8.12 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.6 m -132.79 165.42 32.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.2 68.02 0.91 Allowed 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.375 1.87 . . . . 0.0 113.099 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.263 1.2 m 53.39 38.67 28.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.229 1.412 . . . . 0.0 114.185 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.3 m -76.89 155.08 33.12 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 167.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.2 129.77 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 105.515 -2.032 . . . . 0.0 105.515 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.05 149.92 50.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.42 0.554 . . . . 0.0 109.744 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.2 m -140.86 122.63 15.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 44.28 43.09 5.7 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.378 1.871 . . . . 0.0 112.82 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -122.85 164.41 18.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.931 0.892 . . . . 0.0 110.58 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -122.7 133.56 54.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.513 1.525 . . . . 0.0 108.289 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 48' ' ' VAL . 84.4 m-85 -128.24 135.33 49.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.974 1.31 . . . . 0.0 107.623 173.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 m -138.22 118.05 13.24 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t0 45.88 42.66 9.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.784 2.033 . . . . 0.0 113.589 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.69 166.05 15.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.074 1.35 . . . . 0.0 112.132 -169.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -128.19 142.27 51.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.791 0.836 . . . . 0.0 109.575 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG21 ' CE1' ' A' ' 43' ' ' TYR . 4.0 t -142.27 129.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -170.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -135.19 128.93 32.94 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 38.12 43.17 0.54 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.85 2.06 . . . . 0.0 114.005 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -119.94 153.36 36.04 Favored 'General case' 0 C--N 1.334 -0.108 0 O-C-N 121.717 -0.614 . . . . 0.0 109.35 -173.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.95 118.94 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -170.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -131.0 133.92 46.22 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -169.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 m -136.26 122.62 20.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 42.7 64.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.146 1.778 . . . . 0.0 112.978 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -124.65 165.39 17.99 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.122 0.569 . . . . 0.0 111.362 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -132.15 113.27 13.1 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.67 111.84 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.03 131.1 53.82 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.569 0.748 . . . . 0.0 109.335 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 mttm 44.31 37.17 1.85 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.172 1.789 . . . . 0.0 113.678 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -119.21 164.71 15.2 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.594 0.757 . . . . 0.0 110.349 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.35 135.66 53.5 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 174.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.36 128.26 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -169.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -137.5 129.38 28.82 Favored 'General case' 0 C--N 1.335 -0.06 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp 46.93 29.61 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.361 1.865 . . . . 0.0 113.592 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -108.06 162.92 13.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -123.04 131.25 53.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.956 1.302 . . . . 0.0 108.259 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.5 t -128.05 126.09 40.57 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.979 1.311 . . . . 0.0 108.034 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 m -137.31 119.13 15.17 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.12 43.62 50.43 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -135.09 170.99 15.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.039 1.335 . . . . 0.0 109.316 -169.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.14 146.64 40.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 121.127 -0.983 . . . . 0.0 108.394 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -124.43 132.86 53.51 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -139.62 99.89 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.9 66.58 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.725 -1.042 . . . . 0.0 112.567 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.69 165.76 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 118.967 1.384 . . . . 0.0 111.594 -176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -121.61 125.06 45.82 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -137.49 133.23 45.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -136.36 132.0 35.0 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.178 0.991 . . . . 0.0 109.209 -169.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m 51.12 30.94 6.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 113.584 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -116.77 174.11 6.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.754 0.821 . . . . 0.0 111.732 -169.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.3 m -133.46 138.33 46.13 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.88 1.272 . . . . 0.0 107.597 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 p -140.87 129.3 22.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.503 1.121 . . . . 0.0 108.001 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.12 117.22 10.57 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.765 1.226 . . . . 0.0 108.229 -172.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.12 99.73 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -136.19 104.6 5.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.363 1.081 . . . . 0.0 112.343 -168.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -84.46 128.09 34.39 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.2 mt -135.32 139.4 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.864 1.266 . . . . 0.0 107.772 -171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.451 -0.411 0 C-N-CA 126.883 2.073 . . . . 0.0 110.126 -172.832 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.726 0.298 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -139.07 128.69 24.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.404 1.882 . . . . 0.0 106.166 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.4 mt -137.54 131.47 44.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -137.74 136.22 37.12 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.777 0.831 . . . . 0.0 109.539 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.27 8.0 p 47.33 32.03 2.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.705 2.002 . . . . 0.0 114.582 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 99.2 m -91.73 159.97 15.58 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.3 m -130.33 120.99 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.3 mt -132.0 131.52 61.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -169.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.0 m -135.62 130.67 34.76 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 45.56 42.37 8.0 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.027 1.331 . . . . 0.0 112.85 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 77.11 15.4 81.65 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.235 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.8 t -124.86 119.17 55.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.796 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.47 129.33 38.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 119.253 0.933 . . . . 0.0 109.17 175.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -129.01 125.77 38.07 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -141.01 140.27 32.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 124.125 0.97 . . . . 0.0 109.357 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 m -149.26 145.23 26.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.528 1.131 . . . . 0.0 109.138 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 60.9 20.64 57.71 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.058 1.313 . . . . 0.0 115.926 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.59 159.72 14.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.82 1.31 . . . . 0.0 112.282 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 m -133.17 149.86 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.62 162.52 40.85 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.477 1.035 . . . . 0.0 110.794 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.9 m -139.14 12.37 2.61 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.043 0.937 . . . . 0.0 112.584 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 50.58 -144.15 0.56 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.611 1.164 . . . . 0.0 110.936 -176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.248 0.974 0 C-N-CA 127.468 2.307 . . . . 0.0 106.214 169.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.942 0.401 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.02 -168.24 34.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -74.72 44.07 0.21 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.416 1.886 . . . . 0.0 112.182 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 m -57.21 148.72 21.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.374 1.07 . . . . 0.0 110.098 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 t -121.17 61.14 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -83.58 128.01 34.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.32 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 p -80.59 -61.31 2.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.535 0.734 . . . . 0.0 109.488 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -156.58 8.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.01 1.724 . . . . 0.0 113.467 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 167.52 16.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.91 1.284 . . . . 0.0 111.5 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -102.73 135.68 43.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.32 118.07 22.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.5 p -69.98 168.59 15.06 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.171 0.51 . . . . 0.0 111.202 -174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.75 -26.5 45.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.725 1.21 . . . . 0.0 113.749 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -111.46 -4.3 14.89 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.352 0.661 . . . . 0.0 112.434 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.1 m -73.96 171.84 12.72 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -150.87 146.36 26.27 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.27 -0.894 . . . . 0.0 109.71 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 p -134.78 141.33 46.42 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.675 0.79 . . . . 0.0 109.603 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -147.23 128.89 6.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 pttt 34.22 47.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.485 2.314 . . . . 0.0 113.407 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -141.61 156.73 45.66 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.904 1.282 . . . . 0.0 108.937 -173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -116.51 143.71 45.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.787 0.835 . . . . 0.0 109.165 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 127.96 24.28 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 m -123.85 101.12 7.1 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.378 1.071 . . . . 0.0 109.411 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 51.52 35.75 15.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.204 1.401 . . . . 0.0 112.776 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 m -83.62 170.09 14.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.103 -0.998 . . . . 0.0 109.097 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.64 100.23 4.57 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mm -110.98 109.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -119.8 123.32 43.39 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.663 1.185 . . . . 0.0 108.941 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.88 35.49 0.23 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.788 2.035 . . . . 0.0 113.419 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -124.02 167.26 14.42 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.655 0.782 . . . . 0.0 112.831 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -127.34 124.09 37.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.387 1.075 . . . . 0.0 108.177 -169.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.99 95.44 4.66 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.27 162.77 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 50.66 74.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.795 2.038 . . . . 0.0 113.275 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.2 m 50.95 37.71 18.26 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.42 1.888 . . . . 0.0 114.031 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 m -76.3 152.9 36.3 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.4 mt -138.77 128.76 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.53 149.65 50.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -143.03 121.43 12.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 41.27 38.18 0.74 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.895 2.078 . . . . 0.0 114.544 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -112.98 155.65 24.42 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.555 0.742 . . . . 0.0 110.641 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -106.6 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.503 1.521 . . . . 0.0 107.091 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -117.43 135.15 54.09 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.8 m -140.11 115.86 10.21 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 46.88 39.37 7.36 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.079 1.751 . . . . 0.0 113.271 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.06 167.23 14.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.088 1.355 . . . . 0.0 112.29 -169.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -129.64 139.16 51.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 124.246 1.018 . . . . 0.0 109.131 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.46 135.6 46.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.85 133.0 41.04 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.382 1.073 . . . . 0.0 108.504 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttt 39.72 33.84 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.762 2.425 . . . . 0.0 115.626 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -110.11 161.49 15.5 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.474 -0.766 . . . . 0.0 109.318 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.88 116.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.74 -2.318 . . . . 0.0 104.74 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.268 1.5 m -130.39 133.7 46.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -168.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 m -136.3 128.39 29.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.299 1.04 . . . . 0.0 108.491 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 50.33 44.57 26.57 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.206 1.802 . . . . 0.0 113.248 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.49 167.53 10.24 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.55 -0.719 . . . . 0.0 111.165 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -132.22 111.68 11.61 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.0 mt -122.07 104.66 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 -169.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -115.74 128.75 56.1 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.6 36.97 1.93 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 113.8 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m -118.91 167.31 11.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.712 . . . . 0.0 111.187 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.87 130.06 46.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.051 1.741 . . . . 0.0 106.555 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.11 134.16 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -137.98 127.31 24.66 Favored 'General case' 0 C--O 1.23 0.052 0 C-N-CA 123.227 0.611 . . . . 0.0 109.403 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.02 43.6 1.32 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.49 1.916 . . . . 0.0 114.011 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -115.21 161.93 17.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.068 1.347 . . . . 0.0 109.381 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -122.38 95.87 4.81 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 t -91.74 127.99 37.41 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m -134.95 114.34 12.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.18 32.16 56.86 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.91 -0.939 . . . . 0.0 113.197 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -124.05 164.99 18.26 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.332 1.066 . . . . 0.0 111.907 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -120.21 136.09 54.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -119.91 131.65 55.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.63 103.0 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.59 43.67 85.01 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.734 -1.037 . . . . 0.0 112.751 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pt -124.44 166.42 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.089 1.444 . . . . 0.0 111.768 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -124.69 123.38 39.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.8 tt -139.27 134.04 40.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 118.778 0.717 . . . . 0.0 109.221 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -136.61 144.64 44.19 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 51.62 32.58 9.36 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.509 1.523 . . . . 0.0 113.332 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -120.2 174.39 6.53 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.75 0.82 . . . . 0.0 111.75 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -137.16 137.43 39.18 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.833 1.253 . . . . 0.0 107.639 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -139.84 128.6 23.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.9 m -133.24 108.94 9.08 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.681 0.792 . . . . 0.0 109.243 -169.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 40.68 96.89 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.398 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 103' ' ' GLY . 76.0 p -116.03 167.26 11.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.055 1.428 . . . . 0.0 111.464 -172.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.6 m -137.12 123.56 20.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.3 mt -130.4 126.14 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -168.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.2 m -139.97 166.97 23.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.628 1.171 . . . . 0.0 110.659 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.43 -79.27 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.7 167.37 73.94 Favored 'Cis proline' 0 CA--C 1.539 0.739 0 CA-C-N 119.791 1.795 . . . . 0.0 110.746 -10.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.35 15.71 77.77 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -172.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.2 t -60.96 143.0 56.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.7 m -135.54 129.05 32.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -137.66 135.63 46.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 m -136.87 135.68 38.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.502 0.721 . . . . 0.0 109.196 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.7 p 48.84 39.31 13.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.8 m -105.4 160.35 15.21 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.169 0.988 . . . . 0.0 111.285 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 84.7 m -126.85 128.07 45.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.16 132.4 46.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -133.88 126.29 30.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 39.38 48.14 1.64 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.685 1.594 . . . . 0.0 113.601 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 86' ' ' THR . . . 89.05 -2.83 84.28 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.514 -1.159 . . . . 0.0 114.136 173.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -111.94 116.75 53.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 119.382 1.591 . . . . 0.0 107.533 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.24 151.92 26.61 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.353 0.661 . . . . 0.0 109.962 173.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 p -63.31 147.07 95.58 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.642 0.777 . . . . 0.0 110.549 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -81.83 11.42 3.12 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.702 2.935 . . . . 0.0 113.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.13 137.92 56.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.082 0.953 . . . . 0.0 109.144 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.46 -18.36 61.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 112.458 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.08 67.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.482 0.583 . . . . 0.0 111.696 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.17 118.34 16.0 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -111.78 142.54 44.01 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.8 138.83 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -142.52 144.75 33.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.614 1.166 . . . . 0.0 108.458 170.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.1 51.24 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.813 1.197 . . . . 0.0 114.682 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.8 t -119.07 162.16 19.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.906 1.353 . . . . 0.0 112.442 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.6 m -131.11 140.97 50.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 126.355 1.862 . . . . 0.0 107.303 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.1 mt -118.44 150.64 39.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.631 1.172 . . . . 0.0 108.164 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 p -154.2 160.34 41.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.147 0.979 . . . . 0.0 109.254 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.72 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 171.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.348 169.821 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.71 -31.48 1.49 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.346 0.974 . . . . 0.0 111.7 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m 64.41 156.38 0.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.235 1.814 . . . . 0.0 111.394 -174.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.79 159.9 19.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.724 2.01 . . . . 0.0 106.016 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.39 121.66 55.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -132.92 136.03 45.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.251 0.478 . . . . 0.0 110.317 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 m -126.06 96.94 4.9 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.328 1.851 . . . . 0.0 106.356 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t30 55.87 16.37 2.06 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.14 2.176 . . . . 0.0 116.254 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -74.21 159.6 32.29 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.41 -1.431 . . . . 0.0 110.321 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -111.92 134.25 53.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.88 115.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 p -70.77 170.62 12.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.498 0.666 . . . . 0.0 111.884 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -28.69 66.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.434 1.093 . . . . 0.0 113.804 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -111.72 31.17 6.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.036 0.934 . . . . 0.0 110.977 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -128.11 155.72 43.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.186 1.394 . . . . 0.0 109.096 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -148.54 153.67 38.72 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.543 0.737 . . . . 0.0 109.362 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -125.39 49.01 1.95 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.43 1.492 . . . . 0.0 109.692 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.19 112.51 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.966 1.706 . . . . 0.0 110.776 -169.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 59.99 -22.02 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.805 2.842 . . . . 0.0 114.838 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 m -60.54 155.34 18.79 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 125.398 1.479 . . . . 0.0 112.622 -174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.8 m -94.45 145.07 25.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.06 124.67 16.83 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 m -124.19 111.99 16.53 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.76 43.28 2.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.911 2.485 . . . . 0.0 113.471 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 170.92 10.69 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.481 0.713 . . . . 0.0 109.405 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -134.17 116.33 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.4 mt -124.3 108.34 20.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -169.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.01 115.2 27.24 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.799 1.639 . . . . 0.0 108.591 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t30 44.15 34.52 1.0 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.969 1.708 . . . . 0.0 113.606 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -126.05 156.35 40.08 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.225 1.01 . . . . 0.0 111.217 -169.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -129.76 134.56 47.67 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.67 93.25 3.29 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 -170.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.88 176.27 3.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -167.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.4 t0 56.99 49.54 13.72 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.167 1.787 . . . . 0.0 111.594 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 57.24 44.8 21.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.673 1.189 . . . . 0.0 112.793 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -71.64 176.81 4.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 168.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.56 136.45 35.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.451 -0.781 . . . . 0.0 109.046 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.24 144.06 47.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -139.93 104.3 4.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 51.84 49.57 20.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.712 1.605 . . . . 0.0 111.439 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.4 m -124.75 154.4 40.95 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.945 0.898 . . . . 0.0 111.005 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -107.54 141.13 39.46 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.036 1.734 . . . . 0.0 108.326 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -138.39 129.66 27.32 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.43 114.52 8.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.6 t70 46.04 38.18 4.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.618 1.967 . . . . 0.0 113.939 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.59 16.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.347 1.459 . . . . 0.0 111.709 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -128.58 140.67 51.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 123.916 0.886 . . . . 0.0 109.018 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.0 136.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -137.7 129.64 28.77 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt 37.22 48.34 0.77 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.213 2.205 . . . . 0.0 113.239 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.5 m -119.11 168.28 11.0 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.363 -0.835 . . . . 0.0 109.351 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.5 130.55 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -134.71 156.51 48.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.598 1.09 . . . . 0.0 113.229 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.7 m -148.46 113.01 5.33 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 51.17 74.94 0.21 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.0 1.72 . . . . 0.0 112.012 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.7 t -124.05 158.66 31.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.15 0.98 . . . . 0.0 109.292 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -135.47 119.62 17.67 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.14 104.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.403 -1.702 . . . . 0.0 106.403 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.21 126.87 54.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 52.09 19.99 1.18 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.168 1.787 . . . . 0.0 114.555 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.2 m -106.44 166.2 10.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.588 0.755 . . . . 0.0 111.074 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -128.42 120.81 27.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -127.5 135.51 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.845 0.858 . . . . 0.0 108.806 -168.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -140.31 127.28 20.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -174.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 mp 48.28 28.65 1.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.592 1.557 . . . . 0.0 113.952 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -107.96 160.56 15.68 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.325 1.05 . . . . 0.0 110.269 -169.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.2 m -123.88 128.71 49.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.685 1.194 . . . . 0.0 108.197 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.2 t -124.11 121.48 35.26 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.269 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.2 m -131.64 112.16 12.33 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.15 34.28 58.49 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.447 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.2 m -128.78 174.55 9.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.313 1.056 . . . . 0.0 111.686 -169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -148.33 138.71 22.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.478 -0.764 . . . . 0.0 109.938 -169.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -125.37 139.05 54.01 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.835 1.254 . . . . 0.0 107.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.22 115.07 11.39 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.054 0.941 . . . . 0.0 108.956 173.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.57 44.73 95.36 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.579 1.085 . . . . 0.0 113.705 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 159.87 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 118.933 1.367 . . . . 0.0 111.475 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.56 124.9 53.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.14 132.19 42.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 119.603 1.092 . . . . 0.0 108.914 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -132.76 132.79 42.65 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -169.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 50.26 32.06 5.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.789 1.235 . . . . 0.0 113.542 169.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -116.08 172.86 6.9 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.755 0.822 . . . . 0.0 111.443 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 m -134.92 134.05 40.23 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 p -134.46 128.87 34.31 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 m -132.17 124.62 29.42 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 108.995 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.31 37.55 48.01 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.104 -1.387 . . . . 0.0 113.676 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -135.75 155.22 50.72 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.067 1.933 . . . . 0.0 111.039 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -116.21 144.34 44.33 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mt -138.0 129.46 38.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -138.91 166.89 23.28 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.167 0.987 . . . . 0.0 109.848 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.32 -86.95 0.09 OUTLIER Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.37 169.0 71.22 Favored 'Cis proline' 0 CA--C 1.541 0.827 0 CA-C-N 119.97 1.885 . . . . 0.0 111.004 -10.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.1 15.21 77.65 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.631 0.634 . . . . 0.0 111.637 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.8 t -65.24 146.56 54.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.405 1.082 . . . . 0.0 108.635 173.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -139.1 130.27 26.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 mt -138.16 139.46 42.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 125.043 1.337 . . . . 0.0 107.432 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.0 m -141.13 143.92 34.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.0 p 46.52 34.92 2.59 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.868 2.067 . . . . 0.0 114.243 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.7 t -108.88 163.27 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.962 0.905 . . . . 0.0 110.704 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 m -126.07 133.54 51.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.88 130.99 41.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 m -133.71 125.04 27.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 40.99 51.15 3.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.485 1.514 . . . . 0.0 113.454 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.77 4.2 87.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.449 -1.195 . . . . 0.0 113.74 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.3 t -123.97 117.79 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 119.401 1.6 . . . . 0.0 108.025 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.1 151.47 37.03 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.575 0.75 . . . . 0.0 110.118 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.4 p -66.32 152.14 94.81 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 122.85 0.46 . . . . 0.0 110.415 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.49 10.62 3.5 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.69 2.927 . . . . 0.0 113.361 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.58 138.57 55.2 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.049 0.94 . . . . 0.0 109.098 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -19.34 63.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.158 0.583 . . . . 0.0 112.355 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.52 -26.11 65.28 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.917 0.487 . . . . 0.0 111.682 175.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.57 126.23 29.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 118.929 0.786 . . . . 0.0 109.133 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 136.0 54.43 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 169.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.55 135.6 26.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 m -145.48 132.13 19.92 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.842 1.257 . . . . 0.0 108.768 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.88 25.57 73.15 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 119.04 -0.866 . . . . 0.0 114.086 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.1 m -110.37 162.56 14.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.599 1.199 . . . . 0.0 112.084 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 m -129.15 145.68 51.25 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.442 1.897 . . . . 0.0 106.511 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.12 146.93 50.95 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.624 1.17 . . . . 0.0 108.836 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -147.39 148.55 31.44 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 108.72 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.42 140.9 55.81 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 60.3 tpp . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.855 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.43 177.72 47.94 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -134.41 44.27 2.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.447 1.499 . . . . 0.0 107.165 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.6 p -145.08 168.58 19.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.207 1.403 . . . . 0.0 109.683 -169.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -80.69 69.92 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.5 116.07 17.78 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -79.07 -57.85 3.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.804 0.841 . . . . 0.0 110.1 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -162.04 34.28 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.07 1.348 . . . . 0.0 110.639 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 m -103.79 163.99 11.98 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.71 1.604 . . . . 0.0 110.436 -170.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.24 132.16 55.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -128.33 122.58 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -71.13 166.65 21.0 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.965 0.802 . . . . 0.0 110.923 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -26.34 57.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 0.0 113.729 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.47 -2.49 15.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.623 0.769 . . . . 0.0 112.275 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -72.17 172.18 10.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 109.965 169.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -135.91 143.76 45.15 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.953 1.301 . . . . 0.0 107.792 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.21 110.98 6.5 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 104.414 -2.439 . . . . 0.0 104.414 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.97 124.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt 60.37 -22.41 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.468 2.707 . . . . 0.0 115.559 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -60.97 174.69 0.59 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.96 1.704 . . . . 0.0 113.233 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -118.77 144.36 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.29 128.93 22.96 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.67 88.51 2.9 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -172.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 46.67 51.77 11.85 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.572 1.949 . . . . 0.0 112.708 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.92 171.56 9.21 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -134.65 110.38 9.25 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -116.34 109.11 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -170.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -119.43 119.95 35.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.854 1.262 . . . . 0.0 108.36 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t30 39.53 38.01 0.35 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.695 1.998 . . . . 0.0 113.06 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -125.07 163.58 22.08 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 123.908 0.883 . . . . 0.0 111.855 -169.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -125.83 93.27 3.79 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.058 0.943 . . . . 0.0 108.504 -170.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.4 tp -87.64 87.78 7.48 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.87 175.11 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -168.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.8 66.61 0.79 Allowed 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.924 2.489 . . . . 0.0 112.657 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.59 38.79 30.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 170.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -73.21 172.79 10.47 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.5 tt -142.1 145.03 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 O-C-N 121.028 -1.045 . . . . 0.0 110.139 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.2 p -136.42 152.43 50.59 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.928 0.491 . . . . 0.0 109.854 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -141.58 106.31 4.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.3 ttp85 46.38 39.12 6.03 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.536 1.535 . . . . 0.0 113.138 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -102.74 160.0 14.98 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.127 0.571 . . . . 0.0 109.865 172.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -114.83 132.57 56.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 125.694 1.597 . . . . 0.0 107.297 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 48' ' ' VAL . 64.3 m-85 -123.48 132.01 53.8 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -137.06 116.06 12.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 46.54 42.4 11.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.561 1.944 . . . . 0.0 112.654 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.96 169.88 12.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.64 1.576 . . . . 0.0 112.398 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -133.03 143.98 49.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.23 1.012 . . . . 0.0 109.317 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 43' ' ' TYR . 1.8 t -141.2 131.64 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.854 1.262 . . . . 0.0 108.004 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -139.24 117.27 11.74 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 34.87 52.72 0.61 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.466 1.906 . . . . 0.0 113.093 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -123.0 164.76 17.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.89 134.35 66.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t -145.17 146.25 31.68 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.306 -0.957 . . . . 0.0 112.803 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.4 m -136.86 128.81 29.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.759 1.223 . . . . 0.0 107.732 169.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.4 t0 46.35 59.2 3.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.491 1.916 . . . . 0.0 112.823 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.34 161.09 28.63 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.61 1.164 . . . . 0.0 108.603 -171.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -128.93 129.61 45.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.77 112.67 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.91 127.51 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.941 0.896 . . . . 0.0 108.958 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 43.54 43.94 4.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.5 1.52 . . . . 0.0 113.269 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -127.24 165.77 19.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.749 0.82 . . . . 0.0 110.256 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -125.7 136.76 53.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.74 130.22 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -168.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -138.95 131.9 29.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.206 1.003 . . . . 0.0 108.629 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt 47.12 25.53 0.53 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.009 1.324 . . . . 0.0 114.093 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.161 0.984 . . . . 0.0 110.778 -169.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 128.5 46.11 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.739 1.216 . . . . 0.0 108.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 71' ' ' SER . 42.3 t -120.36 134.82 55.2 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.999 0.92 . . . . 0.0 109.609 176.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 m -134.79 121.92 21.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.24 35.3 64.74 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.832 -0.982 . . . . 0.0 113.797 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 50.7 m -131.49 174.52 10.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.555 1.177 . . . . 0.0 111.321 -170.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.36 130.63 35.26 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -169.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -121.64 132.49 54.69 Favored 'General case' 0 N--CA 1.46 0.059 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.77 124.93 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 170.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.26 39.54 97.35 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.852 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 161.96 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.843 1.321 . . . . 0.0 111.658 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -124.36 117.07 23.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.053 -2.943 . . . . 0.0 103.053 169.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -132.12 131.22 61.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -172.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -133.26 130.89 39.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.746 0.818 . . . . 0.0 108.915 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m 52.41 32.53 11.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.731 1.213 . . . . 0.0 113.388 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -119.67 174.49 6.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.947 0.899 . . . . 0.0 111.36 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -135.79 140.02 43.95 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -133.37 140.75 47.55 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.0 m -144.92 125.94 14.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.37 47.21 56.88 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-O 119.051 -0.861 . . . . 0.0 112.653 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 t -144.49 166.02 26.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.913 1.857 . . . . 0.0 110.166 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.1 m -129.72 133.35 46.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.8 mm -127.53 136.11 61.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 105.709 -1.959 . . . . 0.0 105.709 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.7 m -138.36 163.59 31.47 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.422 1.089 . . . . 0.0 110.34 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -151.53 -137.02 2.56 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.927 1.727 . . . . 0.0 108.85 -174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.16 166.18 82.3 Favored 'Cis proline' 0 CA--C 1.536 0.596 0 CA-C-N 120.605 2.202 . . . . 0.0 112.454 2.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.59 10.66 63.17 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.066 0.841 . . . . 0.0 112.356 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.59 141.12 44.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.77 0.785 . . . . 0.0 109.354 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.9 m -139.99 127.55 21.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.654 1.582 . . . . 0.0 107.334 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.9 mt -138.25 134.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.411 1.485 . . . . 0.0 107.233 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.5 m -139.02 138.32 37.1 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.771 0.828 . . . . 0.0 109.755 171.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.269 6.1 p 46.93 36.56 4.1 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.621 1.968 . . . . 0.0 114.5 174.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 89.7 m -100.52 162.74 12.73 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.161 0.985 . . . . 0.0 110.937 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.5 m -129.5 131.35 46.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 168.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -135.15 125.56 44.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.7 m -134.74 127.35 30.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 43.95 46.62 6.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.407 1.083 . . . . 0.0 112.136 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.84 81.02 Favored Glycine 0 CA--C 1.529 0.969 0 CA-C-O 118.797 -1.002 . . . . 0.0 113.883 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -123.91 114.69 42.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.53 146.72 38.22 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.9 p -62.56 127.9 90.79 Favored Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 123.856 0.862 . . . . 0.0 109.777 174.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.48 12.18 0.1 Allowed 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 124.145 3.23 . . . . 0.0 116.157 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.67 56.33 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.314 1.046 . . . . 0.0 109.359 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.0 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.164 0.586 . . . . 0.0 112.444 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.46 -27.21 67.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.129 0.572 . . . . 0.0 111.825 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -74.34 130.68 40.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 119.257 0.935 . . . . 0.0 108.942 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.23 130.57 44.78 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -142.51 146.43 22.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 124.401 1.081 . . . . 0.0 108.857 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.8 m -157.69 147.74 20.47 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.497 1.119 . . . . 0.0 109.341 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.27 70.05 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.039 -0.867 . . . . 0.0 114.288 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.8 m -110.2 158.55 18.24 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.723 1.262 . . . . 0.0 111.785 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.9 m -132.9 140.46 47.89 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 104.699 -2.334 . . . . 0.0 104.699 169.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -147.27 163.78 35.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.935 0.789 . . . . 0.0 112.002 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -150.38 161.14 43.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.585 1.554 . . . . 0.0 109.774 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.04 143.74 35.33 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 C--O 1.248 1.002 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 169.153 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.678 0.275 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.48 -179.33 46.75 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p -139.89 159.29 42.52 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.443 1.497 . . . . 0.0 108.359 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -149.78 162.41 40.32 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.33 1.452 . . . . 0.0 109.675 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.44 76.31 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -73.56 112.69 9.89 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -82.07 -56.51 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -163.0 53.05 0.18 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.854 1.662 . . . . 0.0 107.652 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -119.97 166.31 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.711 1.604 . . . . 0.0 111.89 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -126.95 137.85 53.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.984 1.314 . . . . 0.0 108.139 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -135.76 116.4 18.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -69.07 164.34 22.68 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.258 0.552 . . . . 0.0 111.058 -177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.38 59.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -112.12 -1.67 15.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.454 0.702 . . . . 0.0 112.222 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.9 m -73.29 172.78 10.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.366 0.666 . . . . 0.0 110.286 169.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -140.11 147.21 39.89 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -134.83 128.94 33.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -141.4 125.69 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt 34.19 50.79 0.39 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.48 2.312 . . . . 0.0 113.724 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -134.38 171.34 14.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.003 1.321 . . . . 0.0 108.576 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -124.58 136.5 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 107.48 8.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -99.56 75.68 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.19 78.1 0.24 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 125.342 1.457 . . . . 0.0 110.73 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.6 m -123.08 167.48 13.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.683 0.793 . . . . 0.0 109.056 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -132.03 135.46 46.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG23 ' HB2' ' A' ' 30' ' ' SER . 32.9 mt -137.13 107.41 5.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -169.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.45 114.07 26.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 126.153 1.781 . . . . 0.0 108.17 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t30 40.59 40.21 0.87 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.084 1.754 . . . . 0.0 113.664 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.452 ' HB2' HG23 ' A' ' 27' ' ' ILE . 71.7 m -125.67 167.74 14.7 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.204 1.001 . . . . 0.0 111.646 -169.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -129.81 115.81 17.81 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 tp -116.45 97.93 6.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -127.33 165.49 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 37.5 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 128.227 2.611 . . . . 0.0 114.638 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m 51.22 30.55 5.88 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.498 1.519 . . . . 0.0 113.195 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -74.24 144.97 44.45 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.9 120.17 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.06 -2.57 . . . . 0.0 104.06 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -128.03 155.05 44.94 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -144.78 132.46 21.07 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 50.81 25.31 2.08 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.772 1.629 . . . . 0.0 113.807 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -111.22 162.48 14.92 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.151 -0.968 . . . . 0.0 112.846 -169.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.99 137.81 54.24 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.832 1.653 . . . . 0.0 107.739 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.26 127.55 33.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 m -134.35 120.42 19.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 43.57 41.39 3.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.594 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.14 164.08 18.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.082 1.353 . . . . 0.0 112.164 -169.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -125.05 141.51 52.08 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.516 1.126 . . . . 0.0 108.421 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.56 133.36 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -139.4 135.88 34.13 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.508 1.123 . . . . 0.0 108.272 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 39.02 36.8 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.54 1.936 . . . . 0.0 115.026 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 p -68.13 162.69 24.19 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.944 -1.098 . . . . 0.0 111.843 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.41 84.06 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 102.436 -3.172 . . . . 0.0 102.436 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.269 1.3 m -118.47 138.2 52.65 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 123.61 0.764 . . . . 0.0 109.805 -167.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -136.65 126.24 25.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.1 t70 49.56 50.05 18.89 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.446 1.898 . . . . 0.0 113.285 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.83 163.6 15.93 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 121.576 -0.702 . . . . 0.0 111.566 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -131.28 106.3 8.21 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -120.12 118.27 56.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -168.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -126.93 132.42 50.87 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.745 0.818 . . . . 0.0 109.572 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt 48.03 31.08 2.28 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.933 1.693 . . . . 0.0 113.685 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -116.37 168.63 9.97 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.428 0.691 . . . . 0.0 111.659 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.58 126.44 40.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.45 129.64 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -169.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.52 123.7 21.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.44 31.32 2.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.218 1.807 . . . . 0.0 113.343 174.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -109.72 152.31 25.8 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.403 1.081 . . . . 0.0 110.073 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.9 m -110.73 136.49 49.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.317 1.447 . . . . 0.0 107.907 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 33.2 t -136.57 133.25 36.19 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 m -137.65 115.57 11.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.38 38.71 63.06 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.779 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -130.99 169.75 15.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.241 1.021 . . . . 0.0 111.623 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.59 140.14 51.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -119.9 140.36 50.99 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 170.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -138.83 117.38 12.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 170.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 44.15 98.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.678 -1.068 . . . . 0.0 113.253 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.93 163.58 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 118.904 1.352 . . . . 0.0 111.089 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -129.37 113.57 15.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.843 -2.651 . . . . 0.0 103.843 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -133.25 134.93 57.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.634 0.652 . . . . 0.0 109.892 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -132.77 134.57 44.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.214 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 49.22 33.42 5.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.895 1.278 . . . . 0.0 113.775 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -116.93 175.49 5.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.734 0.814 . . . . 0.0 111.587 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -134.19 141.55 47.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.535 1.134 . . . . 0.0 108.405 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -139.0 143.21 38.38 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.037 1.335 . . . . 0.0 107.61 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.3 m -153.16 120.06 5.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.228 1.011 . . . . 0.0 109.047 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.49 41.43 88.54 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.654 0.645 . . . . 0.0 111.595 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.44 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -122.12 162.67 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.958 1.303 . . . . 0.0 111.906 -169.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 m -136.61 123.53 21.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 168.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -122.81 127.23 74.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.5 m -138.85 166.85 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.7 0.8 . . . . 0.0 109.9 -173.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.02 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.42 169.5 69.13 Favored 'Cis proline' 0 CA--C 1.54 0.787 0 CA-C-N 119.828 1.814 . . . . 0.0 110.819 -10.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.38 21.86 68.92 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.54 144.39 53.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -137.34 126.12 23.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.49 1.516 . . . . 0.0 107.257 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.0 mt -137.82 136.02 45.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -136.38 143.53 44.08 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p 43.82 43.14 4.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.471 1.908 . . . . 0.0 113.794 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.5 t -117.49 165.52 13.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.148 0.979 . . . . 0.0 110.393 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.2 m -129.24 131.21 47.0 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.1 mt -133.94 142.66 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.0 m -147.89 136.45 21.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 37.5 50.06 1.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.756 1.623 . . . . 0.0 113.419 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 78.78 6.03 88.51 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.315 -1.269 . . . . 0.0 114.546 173.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.88 122.99 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.565 1.682 . . . . 0.0 107.573 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.18 140.39 48.73 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -78.67 129.54 73.7 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.95 110.97 0.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.913 2.409 . . . . 0.0 110.672 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -157.98 136.91 11.47 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 173.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.31 68.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.785 0.434 . . . . 0.0 112.022 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.91 -26.73 64.29 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.723 -0.656 . . . . 0.0 112.174 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.81 128.73 36.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.952 0.797 . . . . 0.0 108.904 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -132.97 135.12 45.31 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 tt -145.18 147.7 18.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 124.561 1.144 . . . . 0.0 109.099 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.2 m -158.61 146.88 18.38 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.751 1.221 . . . . 0.0 109.464 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.53 72.19 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.156 -0.802 . . . . 0.0 114.076 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.08 160.48 18.12 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.519 1.16 . . . . 0.0 112.035 -171.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 m -130.52 142.12 50.48 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.848 2.059 . . . . 0.0 105.797 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.5 mt -128.74 139.17 52.34 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.7 m -143.13 153.38 42.83 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.589 1.156 . . . . 0.0 108.803 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.08 143.74 43.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.868 -1.063 . . . . 0.0 108.583 171.275 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.79 174.99 42.81 Favored Glycine 0 CA--C 1.525 0.67 0 O-C-N 121.779 -0.576 . . . . 0.0 113.527 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -138.5 6.9 2.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.51 1.924 . . . . 0.0 111.016 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.05 154.55 12.5 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.81 78.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 168.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.86 98.42 2.98 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -66.42 -55.5 15.47 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -170.25 81.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.031 1.732 . . . . 0.0 107.937 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -145.36 168.59 20.13 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.371 1.468 . . . . 0.0 110.234 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -121.42 134.41 55.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.043 1.337 . . . . 0.0 108.2 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mt -130.74 119.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -69.96 164.89 22.9 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.293 0.568 . . . . 0.0 111.367 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -26.98 58.36 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.968 1.307 . . . . 0.0 114.304 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -113.8 1.18 14.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.59 0.756 . . . . 0.0 112.207 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -74.37 174.8 8.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.089 0.556 . . . . 0.0 109.787 169.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -142.51 144.02 32.79 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.2 t -138.95 106.66 5.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.01 131.63 71.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 118.899 0.772 . . . . 0.0 109.347 -169.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt 36.04 43.37 0.2 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.477 2.311 . . . . 0.0 114.262 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 m -135.31 173.76 11.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.399 1.48 . . . . 0.0 108.33 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 m -113.1 144.37 42.75 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.73 117.78 10.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.658 0.663 . . . . 0.0 109.864 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.1 m -128.61 121.91 29.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 110.197 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.88 54.87 9.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.375 1.87 . . . . 0.0 111.153 -175.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.3 m -126.76 163.03 24.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.317 0.579 . . . . 0.0 111.745 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -137.7 118.34 13.98 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 30' ' ' SER . 4.5 mp -123.37 105.75 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -170.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.77 116.86 31.4 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 126.125 1.77 . . . . 0.0 108.467 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.82 35.6 0.23 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.309 1.844 . . . . 0.0 114.299 -171.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 27' ' ' ILE . 72.2 m -119.72 161.21 21.11 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.293 1.037 . . . . 0.0 111.697 -169.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -126.61 100.29 6.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.469 1.107 . . . . 0.0 108.368 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.54 121.85 37.66 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.12 160.7 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 118.883 0.765 . . . . 0.0 112.387 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.43 77.82 0.1 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 127.75 2.42 . . . . 0.0 114.556 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.57 36.96 18.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.895 1.678 . . . . 0.0 113.742 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -79.06 171.36 15.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 tt -141.19 131.81 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.3 t -107.31 131.01 54.69 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.49 120.06 16.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 52.28 31.22 8.99 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.792 1.237 . . . . 0.0 112.527 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -120.81 166.21 14.08 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.796 0.807 . . . . 0.0 112.048 -169.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -126.7 132.07 51.23 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.911 1.285 . . . . 0.0 108.377 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -122.41 134.71 54.61 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 m -139.27 117.6 11.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 108.191 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.13 41.32 2.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.75 2.02 . . . . 0.0 113.248 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 168.26 14.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.045 1.338 . . . . 0.0 111.828 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -132.47 139.06 47.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.49 0.716 . . . . 0.0 109.8 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -135.96 126.59 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -135.63 124.23 23.66 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -169.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 34.92 48.52 0.33 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.716 2.007 . . . . 0.0 113.141 -172.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -125.57 158.86 33.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.9 t -117.63 133.01 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 -170.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 147.42 52.15 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.215 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -145.73 114.1 6.68 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.15 71.9 0.4 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.231 1.413 . . . . 0.0 111.769 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.26 154.87 44.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 109.035 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -135.78 112.39 10.05 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.2 mt -121.18 110.92 29.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -169.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -117.97 127.9 54.28 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 50.16 35.78 10.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.688 1.595 . . . . 0.0 113.342 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -123.63 164.95 18.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.627 0.771 . . . . 0.0 111.129 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -126.55 133.13 51.18 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.82 129.63 51.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 108.529 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -135.46 131.61 36.37 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.297 0.639 . . . . 0.0 109.624 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp 45.59 37.28 3.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.384 1.474 . . . . 0.0 112.85 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -118.82 159.73 23.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.45 1.1 . . . . 0.0 110.466 -169.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -126.47 106.65 9.61 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.708 1.203 . . . . 0.0 108.467 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.7 123.06 40.28 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.19 0.996 . . . . 0.0 108.808 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 m -132.63 116.17 16.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.03 42.31 39.11 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 m -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.529 1.132 . . . . 0.0 109.274 -169.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -138.37 145.33 40.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -128.17 124.28 36.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -136.51 99.37 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.24 47.27 65.0 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 118.815 -0.992 . . . . 0.0 112.246 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.09 166.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.684 1.242 . . . . 0.0 111.804 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -123.8 127.19 47.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.7 tt -141.39 133.68 29.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 118.617 0.644 . . . . 0.0 109.55 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -134.33 148.25 50.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m 52.62 29.94 7.96 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.114 1.366 . . . . 0.0 113.316 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -122.16 172.83 7.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.896 0.771 . . . . 0.0 112.653 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -137.05 138.04 40.01 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.8 p -137.3 129.85 29.94 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -135.44 112.59 10.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.517 1.127 . . . . 0.0 108.714 -171.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.97 95.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.491 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.7 OUTLIER -139.55 105.98 5.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.28 1.04 . . . . 0.0 112.775 -168.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -82.53 133.02 35.19 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -136.72 135.24 48.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.5 m -133.6 166.33 22.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.432 1.493 . . . . 0.0 110.535 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.95 -147.47 0.03 OUTLIER Glycine 0 CA--C 1.541 1.691 0 C-N-CA 127.613 2.53 . . . . 0.0 113.989 173.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.3 -13.34 31.58 Favored 'Cis proline' 0 CA--C 1.538 0.682 0 CA-C-N 119.63 1.715 . . . . 0.0 115.102 10.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.25 42.64 0.93 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 47.6 t -71.15 132.96 45.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.641 0.776 . . . . 0.0 111.294 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -137.59 125.89 23.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.915 2.086 . . . . 0.0 105.872 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.25 139.51 49.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 m -146.47 142.61 28.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.687 -0.633 . . . . 0.0 110.601 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 p 47.28 38.09 6.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.85 1.66 . . . . 0.0 113.512 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.4 t -119.42 158.79 25.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.128 0.971 . . . . 0.0 110.451 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -123.95 135.87 53.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -137.49 133.24 45.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -175.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.3 m -134.67 129.57 35.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 45.16 39.75 4.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.548 1.539 . . . . 0.0 114.02 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 85.63 9.17 79.05 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.592 -1.115 . . . . 0.0 114.066 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.18 118.81 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.245 1.522 . . . . 0.0 107.442 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.67 152.62 33.68 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.588 0.755 . . . . 0.0 110.201 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 p -64.22 148.37 95.82 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.216 0.606 . . . . 0.0 110.146 170.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -81.23 8.85 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.492 2.795 . . . . 0.0 113.814 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 137.94 55.93 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.209 1.004 . . . . 0.0 109.195 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.67 -18.08 61.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.245 0.618 . . . . 0.0 112.361 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.87 -26.38 65.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.785 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.07 132.95 48.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.937 0.79 . . . . 0.0 109.291 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -131.82 133.97 45.27 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 169.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.59 131.28 24.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -146.47 139.43 25.5 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.429 1.091 . . . . 0.0 108.334 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.66 17.06 64.28 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 118.837 -0.98 . . . . 0.0 114.857 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.2 m -101.25 162.76 12.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.58 1.19 . . . . 0.0 112.209 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -133.49 143.23 48.67 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.73 152.94 49.53 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 m -135.23 12.79 3.55 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.917 0.887 . . . . 0.0 112.145 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.89 -144.64 0.42 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.102 1.361 . . . . 0.0 111.05 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 C--O 1.249 1.039 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 171.897 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.11 175.59 47.45 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -157.07 -178.97 7.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.956 1.302 . . . . 0.0 107.878 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.5 m -135.19 172.61 12.77 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.62 1.568 . . . . 0.0 109.41 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.65 52.24 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 169.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -69.32 113.17 6.4 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.9 m -85.04 -48.76 8.9 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.428 0.691 . . . . 0.0 109.833 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -162.31 28.2 0.11 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.647 0.779 . . . . 0.0 111.86 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -100.28 166.45 10.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.862 1.265 . . . . 0.0 111.096 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -113.46 120.9 42.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.885 0.874 . . . . 0.0 108.856 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mm -118.29 117.73 55.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.257 -2.497 . . . . 0.0 104.257 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -69.75 168.76 14.33 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.44 0.638 . . . . 0.0 112.078 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.99 65.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.459 1.104 . . . . 0.0 113.746 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -111.74 26.7 10.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.05 0.94 . . . . 0.0 111.142 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -121.99 160.15 25.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.358 1.463 . . . . 0.0 109.398 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -143.93 153.2 42.04 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.769 0.828 . . . . 0.0 109.335 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 p -133.03 24.88 4.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.437 1.895 . . . . 0.0 111.321 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.07 129.35 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.64 1.176 . . . . 0.0 111.866 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt 55.15 6.56 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.137 2.175 . . . . 0.0 114.093 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -112.43 154.08 26.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.543 1.065 . . . . 0.0 111.865 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -94.6 140.49 29.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.92 116.95 17.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.23 91.96 3.83 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -170.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 45.37 56.29 5.78 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.126 2.17 . . . . 0.0 113.737 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.32 172.35 6.85 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.913 1.285 . . . . 0.0 109.927 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.38 120.32 25.34 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 169.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 30' ' ' SER . 9.5 mt -120.33 106.47 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -173.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.9 114.23 27.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.888 1.675 . . . . 0.0 108.84 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t30 42.64 37.67 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.798 1.639 . . . . 0.0 112.759 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -127.29 160.68 30.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.424 1.09 . . . . 0.0 111.169 -169.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -125.47 136.46 53.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -132.56 109.05 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.4 164.12 24.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -169.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t0 53.31 65.27 1.56 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 126.898 2.079 . . . . 0.0 112.441 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.265 1.3 m 48.44 46.27 20.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.265 1.579 . . . . 0.0 115.265 -175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 m -76.48 162.82 27.51 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 166.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.4 100.45 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.7 t -86.01 140.63 30.12 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.95 117.39 13.72 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 173.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 42.36 35.38 0.62 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.586 2.354 . . . . 0.0 114.649 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.6 m -109.16 164.5 12.38 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.887 0.875 . . . . 0.0 110.589 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -111.89 123.81 51.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.658 1.583 . . . . 0.0 106.913 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -114.92 136.07 53.52 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -141.6 116.99 10.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 44.65 40.07 3.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.674 1.99 . . . . 0.0 113.846 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.49 10.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.232 1.413 . . . . 0.0 112.363 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -133.83 140.15 46.71 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.988 0.915 . . . . 0.0 109.826 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 124.6 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.883 1.673 . . . . 0.0 106.616 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.32 126.02 27.18 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.416 0.686 . . . . 0.0 109.428 -172.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 33.41 50.11 0.26 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.376 1.871 . . . . 0.0 112.634 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.21 158.36 39.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.8 t -116.74 140.18 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 p -131.07 145.3 51.96 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 m -136.89 116.69 13.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.91 50.91 17.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.389 1.476 . . . . 0.0 112.456 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.0 m -110.18 164.56 12.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.327 0.651 . . . . 0.0 110.213 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -130.81 112.47 13.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.77 109.38 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 -169.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -120.86 125.81 48.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -169.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 50.47 26.98 2.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.922 1.289 . . . . 0.0 113.806 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -116.16 166.88 11.52 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.744 0.817 . . . . 0.0 111.167 -169.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -130.04 131.42 45.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.19 129.67 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -169.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.68 135.75 35.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.267 0.627 . . . . 0.0 109.983 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt 47.12 28.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.386 1.074 . . . . 0.0 113.881 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -114.06 159.83 19.57 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.903 -1.123 . . . . 0.0 111.316 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -123.47 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.2 t -82.9 129.73 35.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 119.94 18.3 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.83 47.13 13.97 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.91 -0.939 . . . . 0.0 112.636 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -132.48 159.03 40.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.475 1.137 . . . . 0.0 110.522 -169.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -117.88 122.78 44.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -113.65 128.28 56.37 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -137.1 110.01 7.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.829 1.195 . . . . 0.0 109.562 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.43 38.95 97.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 118.603 -1.109 . . . . 0.0 113.031 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pp -123.59 166.68 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.21 1.505 . . . . 0.0 111.33 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -126.74 129.15 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.7 tt -140.74 133.85 32.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -136.21 140.32 43.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.76 0.424 . . . . 0.0 110.958 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 52.23 33.44 12.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.611 1.564 . . . . 0.0 113.442 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -122.88 175.53 6.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.913 0.885 . . . . 0.0 112.112 -169.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -136.84 143.23 42.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.5 p -133.88 153.73 51.55 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.0 m -156.63 109.75 2.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.137 -0.977 . . . . 0.0 109.263 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 49.74 60.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.495 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -138.05 129.15 27.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.415 0.608 . . . . 0.0 111.578 -168.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -95.9 134.44 38.9 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -139.37 121.15 16.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p -145.38 172.16 13.57 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.902 0.881 . . . . 0.0 110.569 -173.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.52 -75.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 170.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.14 171.21 63.9 Favored 'Cis proline' 0 CA--C 1.539 0.764 0 CA-C-N 119.693 1.746 . . . . 0.0 110.897 -10.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.3 14.81 70.55 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.88 0.753 . . . . 0.0 111.816 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 76' ' ' ILE . 4.6 t -65.46 148.65 51.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.68 0.792 . . . . 0.0 109.771 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.4 m -134.78 131.85 38.01 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.674 1.589 . . . . 0.0 107.088 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 79.4 mt -134.5 132.46 54.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 m -134.81 132.22 38.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.091 0.956 . . . . 0.0 108.858 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.254 2.8 p 48.88 36.92 9.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.173 1.389 . . . . 0.0 114.063 170.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.22 162.28 13.04 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.393 1.077 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 91.2 m -127.34 128.17 45.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 168.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 86' ' ' THR . 5.6 mt -133.94 136.94 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -171.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -150.46 134.87 17.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 42.63 46.71 4.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 112.455 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.495 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.96 4.21 88.7 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.075 -1.403 . . . . 0.0 114.649 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.2 t -126.58 127.93 70.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 119.969 1.885 . . . . 0.0 108.38 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.51 22.15 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.791 0.836 . . . . 0.0 109.853 173.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 p -63.31 147.34 95.13 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.3 0.64 . . . . 0.0 110.702 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -83.13 7.74 5.03 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.609 2.872 . . . . 0.0 113.415 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.77 142.25 57.44 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.316 1.046 . . . . 0.0 109.678 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.21 59.18 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.41 0.684 . . . . 0.0 112.513 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.38 79.26 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.726 -0.609 . . . . 0.0 110.873 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.3 126.09 30.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.417 0.553 . . . . 0.0 109.758 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -125.22 136.8 53.92 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 tt -141.46 149.58 20.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.706 1.202 . . . . 0.0 108.363 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -155.12 152.34 29.37 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.194 0.998 . . . . 0.0 109.68 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.0 35.66 54.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.37 1.462 . . . . 0.0 113.382 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.34 161.32 24.92 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.171 0.986 . . . . 0.0 113.108 -169.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 m -131.26 140.63 49.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.923 2.089 . . . . 0.0 106.334 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.08 142.71 50.81 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m -141.39 150.96 43.05 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.794 0.838 . . . . 0.0 108.957 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.78 168.94 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.601 0.715 . . . . 0.0 111.046 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 51.8 mtt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.264 1.826 . . . . 0.0 106.197 169.719 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.24 28.41 54.52 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.506 1.051 . . . . 0.0 114.085 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 53.06 20.55 1.77 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.011 1.324 . . . . 0.0 113.421 -172.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.77 154.18 37.66 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.873 -1.142 . . . . 0.0 108.893 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.91 137.29 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -135.96 138.98 42.86 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.064 0.545 . . . . 0.0 110.258 -174.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.3 m -127.98 94.69 3.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 55.17 17.15 1.87 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.211 2.204 . . . . 0.0 116.456 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -75.63 157.85 33.19 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.493 -1.379 . . . . 0.0 110.632 171.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.0 138.17 31.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 169.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -135.76 109.75 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.24 167.64 17.51 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.891 0.377 . . . . 0.0 110.931 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -27.69 51.14 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -170.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -115.01 -1.85 12.97 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.6 0.76 . . . . 0.0 112.151 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -73.96 160.36 31.46 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -147.17 141.68 26.5 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -172.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.98 145.25 39.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.16 122.51 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 58.74 -20.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.613 2.765 . . . . 0.0 115.594 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -60.09 162.85 5.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.922 1.689 . . . . 0.0 113.362 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 126.46 44.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.61 128.18 50.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -121.86 105.13 10.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.267 0.627 . . . . 0.0 109.672 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.72 44.38 5.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.009 2.124 . . . . 0.0 112.426 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.8 m -90.07 170.84 9.99 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.791 0.836 . . . . 0.0 108.792 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.32 109.38 9.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 30' ' ' SER . 34.1 mt -114.03 121.41 66.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 112.69 17.67 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.594 1.558 . . . . 0.0 108.33 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 t30 42.02 35.39 0.55 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.207 1.803 . . . . 0.0 113.675 -171.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.4 m -122.15 162.23 21.69 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.127 0.971 . . . . 0.0 111.28 -169.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -125.12 133.04 53.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -134.4 87.35 2.35 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.89 175.45 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 55.84 47.87 19.32 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 127.305 2.242 . . . . 0.0 112.263 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 62.57 44.21 7.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.153 1.381 . . . . 0.0 113.39 -178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.22 158.18 34.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -137.79 128.01 36.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.0 p -128.52 154.93 45.63 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.119 0.485 . . . . 0.0 110.615 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -150.14 122.42 8.39 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 46.48 38.0 4.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.606 1.963 . . . . 0.0 114.724 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -110.47 165.67 11.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.874 0.869 . . . . 0.0 111.537 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -122.74 140.32 53.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.19 1.796 . . . . 0.0 108.609 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -139.76 131.24 27.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 106.733 -1.581 . . . . 0.0 106.733 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 m -140.54 113.5 8.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -172.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.8 t70 43.24 43.3 3.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.174 2.19 . . . . 0.0 113.654 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.26 163.59 24.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 111.132 -170.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -130.44 139.87 50.57 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 121.407 -0.808 . . . . 0.0 109.917 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.75 130.81 42.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 125.538 1.535 . . . . 0.0 106.874 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -136.68 126.73 26.06 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? 34.74 52.27 0.56 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.699 2.0 . . . . 0.0 112.686 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.5 m -126.19 146.58 49.91 Favored 'General case' 0 CA--C 1.523 -0.093 0 O-C-N 121.26 -0.9 . . . . 0.0 109.405 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -94.07 134.06 32.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -153.51 97.8 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.351 -0.843 . . . . 0.0 109.463 -169.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.4 m -118.35 135.63 54.21 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -172.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.11 35.61 5.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.852 1.661 . . . . 0.0 111.894 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.83 161.51 14.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -138.84 112.09 8.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 171.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.2 mt -121.78 117.25 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -169.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -118.94 130.33 55.65 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 41.55 43.77 2.38 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.951 1.701 . . . . 0.0 113.758 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.4 m -126.53 168.64 13.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.755 0.822 . . . . 0.0 110.294 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -128.25 141.39 51.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.39 132.99 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.745 1.218 . . . . 0.0 107.749 -169.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -141.71 135.16 29.55 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.449 0.699 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt 49.51 24.73 1.19 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.176 1.39 . . . . 0.0 114.171 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -104.79 164.57 11.68 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.158 -0.964 . . . . 0.0 111.025 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.0 m -128.6 95.14 4.04 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.626 1.571 . . . . 0.0 107.972 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.71 131.85 34.33 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 m -137.19 97.97 3.62 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 39.65 96.22 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.374 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -126.36 167.53 15.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.183 0.991 . . . . 0.0 110.672 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -128.11 135.63 50.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.418 1.087 . . . . 0.0 108.209 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -120.58 141.91 49.86 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -143.49 121.01 11.73 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.88 44.31 98.25 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.228 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.03 166.96 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 119.013 1.407 . . . . 0.0 111.607 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.23 125.99 41.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -138.15 134.69 44.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 119.138 0.881 . . . . 0.0 110.058 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -135.48 131.78 36.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 123.568 0.747 . . . . 0.0 109.382 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 50.57 35.01 10.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.309 1.044 . . . . 0.0 113.178 169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.2 m -123.2 175.23 6.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.831 0.853 . . . . 0.0 111.854 -169.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m -135.38 139.4 44.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.7 p -137.74 127.4 25.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -136.91 106.08 6.01 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.96 54.07 30.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 103' ' ' GLY . 11.0 p -136.16 160.83 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.254 1.021 . . . . 0.0 110.702 -174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -131.13 121.32 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 mt -133.33 113.2 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -169.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.6 m -134.36 6.08 3.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -169.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 32.61 -104.51 0.01 OUTLIER Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.576 2.036 . . . . 0.0 113.105 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.12 169.8 73.28 Favored 'Cis proline' 0 CA--C 1.538 0.681 0 CA-C-N 120.213 2.007 . . . . 0.0 111.077 -4.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.51 21.11 73.26 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.17 139.89 48.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.084 0.954 . . . . 0.0 108.51 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.1 m -135.86 115.68 13.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.33 135.18 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 m -141.52 143.85 34.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 p 44.89 43.76 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.991 1.716 . . . . 0.0 113.79 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.9 t -126.42 161.69 27.31 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.249 1.02 . . . . 0.0 110.536 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.1 m -126.04 135.73 52.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.46 125.35 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.5 m -135.81 125.68 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 40.86 48.03 2.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.445 . . . . 0.0 112.504 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 86' ' ' THR . . . 82.64 5.09 89.78 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.53 -1.15 . . . . 0.0 114.256 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.03 114.55 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 119.488 1.644 . . . . 0.0 107.257 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.38 149.8 31.56 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.415 0.686 . . . . 0.0 109.654 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -62.87 136.09 96.33 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.364 0.666 . . . . 0.0 109.856 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -81.65 8.46 4.42 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.432 2.755 . . . . 0.0 113.763 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.02 144.57 56.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.302 1.041 . . . . 0.0 109.689 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.94 -20.22 63.57 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.206 0.602 . . . . 0.0 112.447 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.47 -27.57 68.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.106 0.562 . . . . 0.0 111.825 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.17 129.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.211 0.914 . . . . 0.0 109.964 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -122.35 137.74 54.75 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 168.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.9 tt -146.32 35.08 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.743 1.217 . . . . 0.0 109.786 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.8 m -59.27 134.74 57.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.445 1.498 . . . . 0.0 111.773 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.1 12.42 54.97 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.441 1.02 . . . . 0.0 114.436 172.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 84.1 m -82.72 160.68 22.31 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.708 1.254 . . . . 0.0 112.781 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.9 m -144.97 114.8 7.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 161.84 41.92 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.141 0.576 . . . . 0.0 111.676 -169.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.0 m -149.89 165.17 33.39 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.124 1.77 . . . . 0.0 109.255 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 150.84 41.65 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.959 0.504 . . . . 0.0 110.21 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 C--O 1.253 1.237 0 N-CA-C 106.949 -1.501 . . . . 0.0 106.949 168.703 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.28 179.05 48.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.5 m -153.47 80.31 1.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.58 157.63 44.13 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.92 1.288 . . . . 0.0 109.928 -169.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.57 75.31 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -77.05 99.15 5.22 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -66.88 -54.6 20.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.789 0.836 . . . . 0.0 110.172 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -164.86 30.7 0.06 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.269 1.028 . . . . 0.0 112.038 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -100.48 167.18 10.53 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.472 1.509 . . . . 0.0 111.556 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -104.16 134.22 47.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.18 115.72 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 p -68.99 166.34 18.2 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 111.211 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.63 39.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 114.214 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.37 7.14 13.81 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.475 0.71 . . . . 0.0 112.41 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.4 m -85.24 167.21 15.86 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.358 1.063 . . . . 0.0 108.717 169.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -145.81 149.67 34.76 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 p -133.63 139.01 46.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.3 t -145.03 130.32 13.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -169.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? 41.69 34.78 0.43 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.327 2.251 . . . . 0.0 113.516 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -137.75 170.82 15.4 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.92 1.688 . . . . 0.0 109.017 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -117.36 142.96 46.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.176 0.991 . . . . 0.0 108.846 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 118.57 11.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -120.89 111.52 17.64 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.629 0.772 . . . . 0.0 109.415 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 41.67 47.0 3.34 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 128.26 2.624 . . . . 0.0 114.445 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m -96.1 172.17 8.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.848 0.859 . . . . 0.0 110.342 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -127.4 123.6 36.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 30' ' ' SER . 23.0 mt -128.16 107.64 16.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -169.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.36 117.33 32.16 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.864 1.665 . . . . 0.0 108.496 -173.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 40.82 34.05 0.24 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.352 1.861 . . . . 0.0 114.202 -172.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.435 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -118.97 152.53 36.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 122.33 1.062 . . . . 0.0 112.278 -169.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -117.36 124.71 49.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.219 1.408 . . . . 0.0 107.765 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -127.03 103.01 7.23 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.54 167.46 26.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -168.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.89 68.2 0.9 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.25 1.82 . . . . 0.0 114.137 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 54.53 39.1 30.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.37 1.468 . . . . 0.0 113.741 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -81.8 170.44 15.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.82 140.22 30.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 O-C-N 122.004 -0.435 . . . . 0.0 110.271 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.7 t -120.07 136.96 54.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.95 113.08 7.51 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 42.16 56.79 3.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.541 1.936 . . . . 0.0 112.259 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -136.92 171.46 14.48 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.331 1.052 . . . . 0.0 111.437 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -123.01 132.47 54.15 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.467 1.507 . . . . 0.0 108.165 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 58' ' ' ILE . 19.1 m-85 -124.79 135.73 53.21 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 169.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -140.72 115.26 9.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 43.86 44.92 6.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.202 2.201 . . . . 0.0 113.343 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 171.4 9.1 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.909 1.284 . . . . 0.0 111.951 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -137.22 140.41 41.68 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.734 0.814 . . . . 0.0 109.494 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.4 128.63 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 124.797 1.239 . . . . 0.0 107.671 -171.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -134.71 130.45 36.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 108.982 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 32.42 48.98 0.13 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.166 2.187 . . . . 0.0 113.425 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -125.14 156.62 38.07 Favored 'General case' 0 CA--C 1.521 -0.145 0 O-C-N 121.576 -0.702 . . . . 0.0 109.34 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.15 125.9 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 -169.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.1 132.16 41.39 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -175.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.4 m -137.13 124.57 22.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 44.65 64.56 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.173 1.389 . . . . 0.0 112.294 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.6 t -116.02 157.89 23.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.52 1.128 . . . . 0.0 108.769 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -137.32 109.55 7.3 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 43' ' ' TYR . 16.0 mt -119.32 118.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -169.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.34 128.36 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 45.71 39.98 5.74 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.644 1.577 . . . . 0.0 113.517 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -125.57 163.49 22.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.773 0.829 . . . . 0.0 110.768 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.43 141.54 51.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.18 131.15 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -169.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.33 131.35 29.89 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.61 26.58 1.82 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.859 1.663 . . . . 0.0 113.546 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -110.0 163.5 13.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.643 1.177 . . . . 0.0 111.226 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.2 m -124.75 125.66 44.41 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.65 1.18 . . . . 0.0 108.697 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -118.07 125.06 49.56 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.052 1.341 . . . . 0.0 107.799 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 113.52 10.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.56 42.55 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.278 -0.735 . . . . 0.0 111.691 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -138.18 174.87 10.09 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.888 0.844 . . . . 0.0 112.29 -169.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -139.72 147.39 40.83 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.261 -0.899 . . . . 0.0 110.273 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -128.3 138.99 52.65 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 116.66 11.35 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.203 1.001 . . . . 0.0 108.416 172.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.8 44.0 98.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 118.596 -1.113 . . . . 0.0 113.345 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 164.56 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.16 1.48 . . . . 0.0 111.414 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -127.79 115.92 19.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.42 132.84 62.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -171.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -133.01 132.31 41.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.9 0.88 . . . . 0.0 109.112 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m 51.58 31.85 8.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.06 1.344 . . . . 0.0 113.742 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -117.0 173.97 6.36 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.793 0.837 . . . . 0.0 111.924 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.8 m -134.64 140.22 45.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.592 1.157 . . . . 0.0 107.978 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.04 118.9 9.27 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 m -136.79 115.78 12.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.119 0.967 . . . . 0.0 108.748 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.89 46.44 94.12 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 103' ' ' GLY . 6.4 p -135.49 155.82 49.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.219 1.01 . . . . 0.0 111.479 -169.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.1 m -131.47 130.81 42.91 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 169.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -125.26 130.2 73.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -138.65 166.67 23.76 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.955 0.902 . . . . 0.0 109.565 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -144.59 -85.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -71.98 170.03 68.3 Favored 'Cis proline' 0 CA--C 1.54 0.822 0 CA-C-N 119.979 1.889 . . . . 0.0 111.137 -10.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.06 14.65 80.3 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.839 0.733 . . . . 0.0 111.614 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.32 141.54 58.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.073 0.949 . . . . 0.0 108.938 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -135.83 125.42 25.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.5 mt -138.18 134.76 44.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -174.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.4 m -138.14 138.84 39.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.096 0.959 . . . . 0.0 109.512 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.261 7.2 p 48.33 30.62 2.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.803 2.041 . . . . 0.0 114.731 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.2 m -89.87 159.87 16.75 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.298 -0.876 . . . . 0.0 110.973 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.4 m -130.03 124.62 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 86' ' ' THR . 11.6 mt -134.18 130.54 54.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -170.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -140.88 132.02 26.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -170.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 46.29 41.34 8.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.302 . . . . 0.0 112.276 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.94 9.78 84.89 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.248 -1.307 . . . . 0.0 114.873 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.28 126.16 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.691 1.745 . . . . 0.0 107.917 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.99 142.77 45.79 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -66.81 134.63 94.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.55 77.71 2.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.763 2.975 . . . . 0.0 110.084 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.51 137.13 38.33 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.963 1.305 . . . . 0.0 108.734 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -21.56 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.498 0.719 . . . . 0.0 112.584 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -27.97 69.63 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.974 0.509 . . . . 0.0 111.801 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.6 t -74.29 123.57 24.82 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.092 0.86 . . . . 0.0 109.13 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 130.3 53.82 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 169.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 tt -142.94 145.65 22.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.482 1.113 . . . . 0.0 108.826 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.7 m -157.63 145.33 18.69 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.42 1.088 . . . . 0.0 109.462 173.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.14 24.6 73.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.009 -0.884 . . . . 0.0 113.785 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.07 160.05 20.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.562 1.181 . . . . 0.0 112.101 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.8 m -130.61 145.17 51.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.741 2.016 . . . . 0.0 106.401 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.99 142.02 51.06 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.367 1.067 . . . . 0.0 108.657 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.2 m -143.06 157.28 44.68 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.252 1.421 . . . . 0.0 108.425 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.79 158.81 25.32 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.709 0.403 . . . . 0.0 110.053 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 124.135 0.974 . . . . 0.0 108.625 169.197 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 119.492 -0.29 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.38 -172.84 18.21 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.445 0.545 . . . . 0.0 112.437 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -136.92 126.5 25.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.609 1.564 . . . . 0.0 107.318 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -157.0 168.36 27.72 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 108.884 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 132.98 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -135.01 134.87 40.9 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 95.78 4.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.944 1.698 . . . . 0.0 106.542 170.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 56.19 14.4 1.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.049 2.139 . . . . 0.0 116.173 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 m -75.14 165.77 24.7 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.583 -1.323 . . . . 0.0 109.991 169.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -120.56 136.69 54.72 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.06 118.74 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -65.2 165.59 11.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.611 0.72 . . . . 0.0 111.453 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.92 63.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.905 0.882 . . . . 0.0 112.798 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -100.77 14.16 32.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 111.662 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -115.02 167.71 10.56 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 125.315 1.446 . . . . 0.0 109.935 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -132.47 138.26 47.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.748 0.819 . . . . 0.0 108.903 -172.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.6 t -139.2 107.65 5.84 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.78 126.4 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -169.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 56.29 -4.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.733 2.413 . . . . 0.0 115.616 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -90.73 178.29 6.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.964 1.306 . . . . 0.0 111.277 -169.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 m -125.1 134.33 52.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 172.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.98 126.26 37.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -120.2 111.72 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 44.38 37.45 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.639 2.375 . . . . 0.0 113.611 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.82 170.04 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.659 0.783 . . . . 0.0 109.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -133.66 128.26 34.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 30' ' ' SER . 22.8 mt -136.73 116.66 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.34 127.61 45.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.769 1.228 . . . . 0.0 109.659 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 38.84 38.35 0.27 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.06 2.144 . . . . 0.0 112.786 -169.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.491 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -128.78 167.95 16.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.8 0.84 . . . . 0.0 112.285 -169.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -128.68 131.44 47.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.61 106.25 9.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.78 162.4 36.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 46.01 74.31 0.15 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.832 2.453 . . . . 0.0 112.856 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 48.18 42.65 17.75 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.6 m -74.31 158.93 33.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 167.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.34 125.88 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -129.5 137.7 50.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -169.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -135.98 110.8 8.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 50.93 26.83 2.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.67 1.988 . . . . 0.0 115.192 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 m -92.29 160.08 15.3 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.321 0.964 . . . . 0.0 110.287 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.35 122.48 47.52 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.739 2.016 . . . . 0.0 107.032 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -113.81 136.27 53.05 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -139.92 116.47 10.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 46.27 41.97 9.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.98 1.712 . . . . 0.0 113.752 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.42 170.55 14.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.847 1.259 . . . . 0.0 112.829 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -132.42 140.45 48.45 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.099 0.959 . . . . 0.0 109.78 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.21 128.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.089 1.356 . . . . 0.0 107.455 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.99 130.09 37.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.796 0.838 . . . . 0.0 109.647 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 tttt 33.5 49.91 0.26 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.211 2.205 . . . . 0.0 112.937 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 m -125.84 161.66 26.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.51 132.43 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -142.51 140.43 31.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.48 0.582 . . . . 0.0 110.622 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -136.84 113.38 10.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.29 1.436 . . . . 0.0 107.63 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.13 49.3 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.301 1.84 . . . . 0.0 112.446 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.8 m -112.03 168.58 9.49 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.029 0.931 . . . . 0.0 110.387 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -120.42 134.97 55.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.2 mt -134.97 100.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.41 129.42 56.02 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 mttp 51.8 25.23 2.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.396 1.478 . . . . 0.0 114.229 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -112.4 167.56 10.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.594 0.758 . . . . 0.0 111.684 -169.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -128.97 131.92 47.52 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.01 131.0 52.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -169.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -137.03 133.91 36.0 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.118 0.567 . . . . 0.0 109.801 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt 49.69 29.01 2.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -111.52 163.13 14.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.501 1.12 . . . . 0.0 110.637 -169.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -125.71 130.34 51.34 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.764 1.226 . . . . 0.0 107.949 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.8 t -129.65 130.31 45.41 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.144 0.978 . . . . 0.0 109.096 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -138.56 120.14 15.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.47 31.18 51.36 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.74 0.686 . . . . 0.0 113.477 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.86 161.54 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.964 0.905 . . . . 0.0 110.14 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -131.69 121.71 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -170.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -110.1 138.5 46.39 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.3 115.39 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.7 48.69 84.96 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 118.849 -0.973 . . . . 0.0 113.178 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.09 157.88 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 118.296 1.048 . . . . 0.0 110.88 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -128.3 102.84 6.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -124.57 136.44 60.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 122.875 0.47 . . . . 0.0 110.434 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 148.21 47.57 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 53.89 31.69 13.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.648 1.579 . . . . 0.0 113.063 170.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -121.37 175.49 6.14 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.78 0.832 . . . . 0.0 112.025 -169.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -136.97 137.67 39.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.524 1.13 . . . . 0.0 108.747 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 p -135.51 128.29 31.09 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -135.08 111.49 9.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.386 1.074 . . . . 0.0 108.683 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.2 49.96 72.89 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -137.29 131.13 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.999 0.9 . . . . 0.0 111.683 -169.398 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -95.89 136.51 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 169.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.6 mm -133.88 109.77 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 -173.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -138.42 148.58 44.6 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.041 0.448 . . . . 0.0 111.303 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.17 -97.89 0.18 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -57.65 163.69 20.32 Favored 'Cis proline' 0 C--N 1.349 0.553 0 CA-C-N 120.859 2.33 . . . . 0.0 113.61 -10.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.36 -2.03 20.53 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.547 1.07 . . . . 0.0 112.732 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.3 m -61.22 138.63 58.22 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 118.047 0.923 . . . . 0.0 110.293 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -134.61 123.94 24.61 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.69 134.79 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -142.65 134.93 27.55 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 p 46.62 38.64 5.89 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.555 1.542 . . . . 0.0 113.379 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -115.62 160.98 19.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.237 1.015 . . . . 0.0 110.357 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.4 m -127.16 136.19 51.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 169.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.449 HG22 HG21 ' A' ' 86' ' ' THR . 6.8 mt -137.55 131.52 43.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 -177.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.0 m -136.78 132.07 34.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 38.21 51.39 1.52 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.547 1.539 . . . . 0.0 113.299 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.0 3.76 90.63 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.332 -1.26 . . . . 0.0 114.411 173.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.91 120.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 119.684 1.742 . . . . 0.0 108.022 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.12 150.15 35.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.425 0.69 . . . . 0.0 109.818 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 p -64.4 147.35 97.35 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.061 0.544 . . . . 0.0 110.185 173.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -81.12 7.47 4.93 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.443 2.762 . . . . 0.0 113.797 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.22 137.88 56.53 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.36 1.064 . . . . 0.0 109.396 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.73 -16.75 58.96 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.419 0.688 . . . . 0.0 112.428 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.99 74.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.834 -0.603 . . . . 0.0 111.316 174.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.58 132.36 44.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.662 0.665 . . . . 0.0 110.066 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.79 138.08 50.85 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 tt -141.0 143.86 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.121 1.368 . . . . 0.0 108.677 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 m -146.55 150.06 34.79 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.335 1.054 . . . . 0.0 109.397 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.75 37.35 56.98 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.451 1.5 . . . . 0.0 114.164 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 5.9 t -134.06 160.35 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.394 1.097 . . . . 0.0 112.917 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -125.82 147.25 49.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.897 1.679 . . . . 0.0 108.112 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -128.78 149.42 50.73 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.836 1.255 . . . . 0.0 108.725 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 m -147.06 159.3 43.75 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.307 1.043 . . . . 0.0 109.086 171.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.37 148.97 30.39 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.6 ttt . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.234 1.014 . . . . 0.0 108.431 169.602 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.26 -176.38 47.26 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 p -141.78 119.17 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -148.98 117.84 6.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.73 74.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 172.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -91.91 126.11 36.87 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.362 0.665 . . . . 0.0 110.012 -172.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.16 -56.19 4.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.411 1.084 . . . . 0.0 109.89 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -160.49 12.04 0.11 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.607 1.163 . . . . 0.0 112.375 -175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -73.48 159.36 33.33 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 111.257 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -96.69 133.96 40.55 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 170.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.83 113.03 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -71.12 169.94 13.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.398 0.618 . . . . 0.0 111.552 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.05 -25.91 59.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.962 1.305 . . . . 0.0 113.921 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -121.17 34.62 5.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.319 1.048 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 m -121.99 163.38 19.46 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.615 1.566 . . . . 0.0 108.978 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -155.96 148.21 23.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.321 0.51 . . . . 0.0 110.295 -171.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.79 145.37 48.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 168.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.11 116.58 3.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt 62.67 -19.88 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.51 2.724 . . . . 0.0 114.545 -170.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -62.98 164.27 8.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.778 1.231 . . . . 0.0 113.436 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 m -112.14 148.74 33.35 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.366 1.466 . . . . 0.0 107.3 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 132.76 26.8 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.613 -0.679 . . . . 0.0 109.591 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 81.08 2.01 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.437 0.695 . . . . 0.0 109.522 -169.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.78 59.76 4.26 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.94 1.696 . . . . 0.0 111.379 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m -106.55 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.946 1.298 . . . . 0.0 109.108 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -137.13 117.24 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.429 HG23 ' HB2' ' A' ' 30' ' ' SER . 35.6 mt -123.56 112.89 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -169.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -118.18 115.38 24.66 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.815 1.646 . . . . 0.0 108.488 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 t30 43.0 38.88 1.57 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.911 1.684 . . . . 0.0 113.264 -173.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' HG23 ' A' ' 27' ' ' ILE . 66.7 m -129.29 165.04 22.22 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.053 0.941 . . . . 0.0 112.442 -169.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -126.98 133.45 50.57 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.922 0.889 . . . . 0.0 108.642 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -132.31 84.84 2.18 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.1 179.52 2.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -167.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 t0 55.82 52.88 10.09 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.758 2.023 . . . . 0.0 111.89 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 58.29 40.81 24.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.972 0.909 . . . . 0.0 113.163 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -73.38 173.78 9.07 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.193 -0.942 . . . . 0.0 109.543 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.67 146.56 21.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 121.489 -0.757 . . . . 0.0 109.694 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.92 153.24 50.48 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -144.77 126.99 15.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 46.27 36.28 3.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.481 1.512 . . . . 0.0 113.766 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.3 m -116.19 158.61 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.256 0.622 . . . . 0.0 111.248 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -115.63 137.97 51.54 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.684 1.594 . . . . 0.0 107.607 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.62 129.75 33.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -141.32 115.47 9.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -171.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 43.83 42.02 4.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.686 1.994 . . . . 0.0 113.757 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.33 167.13 14.77 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.367 1.467 . . . . 0.0 111.758 -169.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -134.84 138.2 43.98 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 123.612 0.765 . . . . 0.0 109.698 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.65 133.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -135.11 130.76 35.98 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 34.76 52.38 0.57 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.805 2.042 . . . . 0.0 113.54 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.1 m -123.68 156.51 35.78 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.38 -0.825 . . . . 0.0 109.225 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.55 110.66 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -169.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -130.65 139.97 50.37 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 118.632 0.651 . . . . 0.0 109.935 -169.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.2 m -136.29 129.83 32.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.801 1.24 . . . . 0.0 107.714 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t0 42.18 67.46 0.58 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.409 2.283 . . . . 0.0 112.76 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 68.5 m -128.35 167.13 17.4 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.475 0.71 . . . . 0.0 110.682 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -133.07 112.17 11.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 105.626 -1.991 . . . . 0.0 105.626 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 73' ' ' TYR . 19.7 mm -117.71 107.66 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -168.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -119.1 127.59 53.51 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 47.14 34.42 2.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.713 1.605 . . . . 0.0 113.652 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.0 m -119.35 165.58 14.12 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.574 0.749 . . . . 0.0 111.198 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -126.22 132.66 51.7 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.277 1.431 . . . . 0.0 107.504 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -136.02 133.76 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.43 136.35 31.26 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.95 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 mt 51.9 27.12 4.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.717 1.207 . . . . 0.0 113.464 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 m -109.71 159.8 16.85 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 110.235 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.0 m -122.43 128.57 51.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.7 t -128.33 126.5 40.86 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.928 0.891 . . . . 0.0 108.786 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 m -135.98 121.25 19.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.54 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 119.415 -0.658 . . . . 0.0 112.632 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.0 m -129.1 165.17 21.76 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.275 1.03 . . . . 0.0 110.482 -169.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.99 134.73 44.86 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 58' ' ' ILE . 16.0 m-30 -118.23 131.17 56.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -140.24 101.44 4.14 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.91 43.56 82.36 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.764 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' A' ' 93' ' ' CYS . 3.7 pt -129.12 169.89 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.426 1.613 . . . . 0.0 111.916 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -123.68 129.66 51.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.2 tt -143.15 131.49 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -137.09 135.48 37.5 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.369 0.668 . . . . 0.0 109.484 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m 51.37 35.08 13.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.248 1.419 . . . . 0.0 113.664 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -121.87 174.71 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 111.843 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -136.86 133.93 36.36 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.456 1.102 . . . . 0.0 108.524 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.5 p -136.38 128.48 29.68 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -135.69 114.68 12.18 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.163 0.985 . . . . 0.0 108.409 -174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.06 41.91 99.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -131.79 121.34 23.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.656 1.228 . . . . 0.0 111.968 -168.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.4 m -93.94 134.35 36.42 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 168.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -137.08 125.05 32.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 m -139.45 166.6 24.14 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.364 1.066 . . . . 0.0 110.746 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -132.83 -80.98 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.48 164.63 54.24 Favored 'Cis proline' 0 CA--C 1.538 0.677 0 CA-C-N 119.942 1.871 . . . . 0.0 111.632 -10.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.3 73.87 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.483 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.3 t -66.6 147.3 53.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -136.0 131.6 35.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.9 134.82 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -138.52 141.07 39.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.216 0.606 . . . . 0.0 110.222 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.44 31.2 16.46 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 168.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 94.9 m -104.52 163.56 12.37 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.139 0.976 . . . . 0.0 111.983 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -129.81 133.44 46.95 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mt -141.51 135.36 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 m -140.19 128.82 22.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.41 1.084 . . . . 0.0 108.282 -172.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 40.66 49.28 2.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.521 1.529 . . . . 0.0 113.333 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.501 ' H ' HG22 ' A' ' 86' ' ' THR . . . 83.93 2.69 89.55 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.066 -1.408 . . . . 0.0 114.42 172.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 t -130.73 137.02 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 119.898 1.849 . . . . 0.0 108.184 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.45 148.77 47.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.73 -0.606 . . . . 0.0 109.625 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -132.35 161.35 63.57 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 125.103 1.361 . . . . 0.0 109.201 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.46 123.71 10.79 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.73 2.953 . . . . 0.0 113.587 -171.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -141.53 -4.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 56.53 -16.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 130.299 3.44 . . . . 0.0 116.825 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 12.69 3.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.824 1.193 . . . . 0.0 112.777 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.2 t -59.06 133.72 56.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 110.768 -175.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -135.55 128.61 31.59 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.6 tt -141.13 143.99 27.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 124.386 1.074 . . . . 0.0 109.366 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 m -146.81 146.57 30.29 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.52 1.128 . . . . 0.0 109.366 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.33 37.62 60.21 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.26 1.41 . . . . 0.0 113.632 169.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.18 160.2 28.4 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.176 0.988 . . . . 0.0 112.98 -169.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.8 m -134.11 144.81 48.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.833 2.053 . . . . 0.0 107.344 171.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.24 145.88 51.26 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.881 1.272 . . . . 0.0 108.509 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.8 m -142.84 150.38 39.82 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.515 1.126 . . . . 0.0 108.857 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.71 169.27 13.21 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.102 0.561 . . . . 0.0 110.407 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -176.716 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.756 0.313 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.14 29.51 1.93 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.069 1.319 . . . . 0.0 110.766 169.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -137.62 -11.7 1.57 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.32 1.048 . . . . 0.0 113.152 -169.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t -59.09 148.93 29.33 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.617 1.098 . . . . 0.0 109.721 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -122.4 64.99 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -72.89 157.88 36.59 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.119 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -123.06 -66.46 1.02 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.412 1.885 . . . . 0.0 107.3 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -148.81 16.74 0.98 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.227 1.811 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -69.75 169.62 12.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.5 0.72 . . . . 0.0 110.552 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -118.17 139.89 50.6 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.04 116.63 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -64.06 162.7 13.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.22 0.533 . . . . 0.0 111.477 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.49 63.18 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -109.07 -4.72 16.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.371 0.668 . . . . 0.0 112.087 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 m -71.75 171.55 11.39 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.387 0.675 . . . . 0.0 109.985 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -139.45 143.56 37.64 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.565 -0.709 . . . . 0.0 109.187 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -134.2 121.23 21.07 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 104.691 -2.336 . . . . 0.0 104.691 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -143.58 129.99 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 pttt 34.01 45.39 0.11 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.197 2.199 . . . . 0.0 113.297 -173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -140.12 160.66 39.44 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.554 1.542 . . . . 0.0 108.371 -172.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -117.47 141.32 48.49 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.28 124.12 19.96 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -121.58 110.76 16.4 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.365 1.066 . . . . 0.0 109.05 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 42.57 40.82 2.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.203 1.801 . . . . 0.0 113.894 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -87.74 166.69 14.45 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -132.5 125.83 31.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.8 mt -127.92 118.27 48.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -169.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.83 115.18 23.32 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.812 1.645 . . . . 0.0 108.421 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.98 40.51 1.04 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.291 1.836 . . . . 0.0 113.988 -174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.5 m -127.58 165.19 20.39 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.015 0.926 . . . . 0.0 111.436 -169.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.31 130.31 50.58 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 tp -125.22 100.69 6.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.13 163.41 36.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.9 63.4 2.14 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.833 1.653 . . . . 0.0 113.42 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 34.61 17.54 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.936 1.695 . . . . 0.0 113.417 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 m -76.54 152.09 36.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.6 mt -139.25 120.72 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.63 147.49 45.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.459 0.572 . . . . 0.0 109.612 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -143.4 114.37 7.74 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 59.86 13.95 3.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.557 1.543 . . . . 0.0 113.815 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -95.57 166.67 11.73 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.015 -1.053 . . . . 0.0 112.117 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -118.31 138.13 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.966 2.106 . . . . 0.0 107.831 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -135.38 130.51 35.02 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.88 113.8 7.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -171.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 43.27 44.46 4.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.449 1.9 . . . . 0.0 113.13 -173.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.38 171.12 10.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.669 1.588 . . . . 0.0 112.268 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -133.65 144.14 49.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.36 1.064 . . . . 0.0 109.138 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.13 128.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -133.91 127.26 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm 37.15 49.29 0.84 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.294 1.838 . . . . 0.0 113.487 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -128.19 149.07 50.61 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.734 -0.604 . . . . 0.0 109.616 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.76 128.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.13 112.05 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -168.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -125.25 127.86 47.4 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.943 0.897 . . . . 0.0 109.977 -169.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 46.72 40.36 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.889 2.076 . . . . 0.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 m -105.55 165.2 11.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.376 0.671 . . . . 0.0 109.977 -176.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -127.65 111.77 14.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mm -117.05 100.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -118.31 130.98 56.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -171.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm 49.38 21.98 0.64 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.465 1.506 . . . . 0.0 114.196 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -110.31 163.36 13.72 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.146 0.884 . . . . 0.0 111.576 -169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -133.05 115.97 15.79 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.8 t -119.81 134.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 124.8 1.24 . . . . 0.0 108.789 -168.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -141.13 132.65 26.97 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.671 0.788 . . . . 0.0 109.3 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.3 mt 49.05 26.99 1.54 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.54 1.136 . . . . 0.0 113.513 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m -110.95 163.75 13.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.565 1.146 . . . . 0.0 111.341 -168.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.8 m -123.91 131.82 53.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.23 1.412 . . . . 0.0 107.498 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -131.38 134.43 46.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.867 1.267 . . . . 0.0 108.332 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 m -138.03 118.84 14.14 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.84 35.92 59.14 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 118.94 -0.922 . . . . 0.0 113.338 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -130.97 158.88 39.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.458 1.129 . . . . 0.0 112.143 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 124.91 53.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -110.25 132.65 53.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.469 -2.049 . . . . 0.0 105.469 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.32 103.38 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.02 42.46 92.48 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-O 118.544 -1.142 . . . . 0.0 112.457 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -126.12 146.7 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.08 1.44 . . . . 0.0 111.372 -175.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -99.12 130.19 45.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 168.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.27 131.2 16.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 118.65 0.659 . . . . 0.0 109.622 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -132.36 138.51 47.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.679 0.792 . . . . 0.0 109.739 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m 51.44 29.13 4.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.916 1.287 . . . . 0.0 114.131 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.0 m -114.21 173.31 6.51 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.989 0.813 . . . . 0.0 112.232 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -136.9 134.66 37.05 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 107.888 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.8 p -134.16 154.48 51.2 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.532 0.733 . . . . 0.0 109.417 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.2 m -152.37 134.33 14.87 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.333 -0.854 . . . . 0.0 108.961 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.46 45.45 36.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.924 1.249 . . . . 0.0 114.051 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -142.31 161.62 37.56 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.554 1.677 . . . . 0.0 110.473 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -122.22 130.55 53.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.4 mt -136.35 121.75 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 -169.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.7 m -138.74 154.92 48.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.925 0.89 . . . . 0.0 109.767 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.63 -92.02 1.17 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 108.314 -1.915 . . . . 0.0 108.314 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -70.11 163.1 83.66 Favored 'Cis proline' 0 CA--C 1.539 0.743 0 CA-C-N 120.014 1.907 . . . . 0.0 111.197 -9.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.9 18.25 68.12 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 123.825 0.726 . . . . 0.0 111.786 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.1 t -71.97 153.36 41.85 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 117.624 0.712 . . . . 0.0 109.353 173.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.3 m -139.06 132.04 29.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.521 1.528 . . . . 0.0 107.685 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -138.17 139.61 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.957 1.303 . . . . 0.0 107.534 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 m -140.28 143.21 35.79 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 p 46.93 35.3 3.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.309 1.844 . . . . 0.0 113.332 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.5 t -104.39 162.67 13.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.51 0.724 . . . . 0.0 111.788 -169.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 m -129.57 130.85 46.23 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 171.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.54 142.18 31.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.4 m -150.24 134.55 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 43.74 46.31 6.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.189 1.396 . . . . 0.0 113.225 173.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.84 86.72 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 118.83 -0.983 . . . . 0.0 113.784 173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.05 137.37 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.21 175.7 9.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.498 1.519 . . . . 0.0 110.309 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.0 m 66.06 47.85 0.54 Allowed Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 124.262 1.025 . . . . 0.0 113.404 170.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -77.64 5.05 5.5 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 122.001 1.801 . . . . 0.0 111.671 168.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -149.36 142.5 24.99 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 128.202 2.601 . . . . 0.0 107.248 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.29 -15.82 63.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.457 0.703 . . . . 0.0 112.486 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.13 70.44 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.402 0.681 . . . . 0.0 111.674 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.67 133.22 55.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.689 0.677 . . . . 0.0 110.159 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -133.36 136.87 45.61 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.2 mt -138.78 140.49 38.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.9 m -142.86 144.55 32.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.995 1.318 . . . . 0.0 108.605 173.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.78 29.63 67.76 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.72 -1.045 . . . . 0.0 114.39 170.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.99 164.25 16.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.812 1.306 . . . . 0.0 112.809 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.7 m -135.53 135.14 40.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 126.818 2.047 . . . . 0.0 106.282 172.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -128.73 144.8 51.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.534 1.133 . . . . 0.0 108.278 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.9 m -147.93 159.9 43.38 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.096 1.358 . . . . 0.0 109.429 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.82 154.53 38.25 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.846 -0.534 . . . . 0.0 109.724 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.857 0.863 . . . . 0.0 108.785 169.477 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.902 0.382 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.91 -147.18 12.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m -76.49 66.35 2.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.707 1.203 . . . . 0.0 108.228 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.0 m -74.58 -15.66 60.84 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t 37.84 58.54 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.701 2.001 . . . . 0.0 110.268 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -72.71 128.29 35.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.787 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -126.53 107.26 10.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t30 42.63 31.05 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.59 2.356 . . . . 0.0 115.319 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -101.84 161.49 13.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.347 1.059 . . . . 0.0 111.175 -174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -119.22 129.85 55.17 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 114.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.5 p -68.39 166.27 17.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.257 0.551 . . . . 0.0 110.884 -175.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.89 62.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.957 0.903 . . . . 0.0 113.126 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -102.64 0.69 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.287 1.435 . . . . 0.0 111.973 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -91.56 177.88 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.664 1.185 . . . . 0.0 109.083 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -147.27 137.35 23.17 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.497 -0.752 . . . . 0.0 110.733 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.17 144.84 33.62 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.413 1.885 . . . . 0.0 106.77 169.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.04 -44.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-O 122.49 1.138 . . . . 0.0 112.424 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -148.36 97.56 2.78 Favored 'General case' 0 C--N 1.315 -0.933 1 N-CA-C 100.123 -4.029 . . . . 0.0 100.123 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -152.85 -179.63 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.6 m -149.48 133.88 17.47 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 169.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.82 130.5 22.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -125.67 110.95 14.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.18 42.88 0.8 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.919 2.088 . . . . 0.0 113.087 -171.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.61 163.45 23.63 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -132.28 122.42 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 30' ' ' SER . 20.6 mt -136.36 116.99 17.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -169.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -125.38 127.2 46.21 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.223 1.409 . . . . 0.0 109.499 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t30 37.0 40.13 0.14 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.086 2.154 . . . . 0.0 113.89 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -130.65 162.47 29.31 Favored 'General case' 0 CA--C 1.527 0.072 0 O-C-N 121.688 -0.633 . . . . 0.0 112.155 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -116.87 133.17 56.34 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.344 0.658 . . . . 0.0 109.376 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -123.38 96.67 5.08 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.51 174.07 12.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 118.643 0.656 . . . . 0.0 112.591 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.8 t0 51.6 46.55 26.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.646 1.978 . . . . 0.0 112.935 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.269 1.3 m 59.99 41.3 17.71 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.841 2.056 . . . . 0.0 112.982 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -70.94 164.07 26.2 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.3 141.85 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.655 0.382 . . . . 0.0 110.515 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.3 t -126.99 138.94 53.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 107.824 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -135.24 103.34 5.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 58.63 20.01 7.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.706 1.202 . . . . 0.0 113.855 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.3 m -89.25 166.38 13.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.459 1.027 . . . . 0.0 110.548 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.98 129.46 56.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.953 1.701 . . . . 0.0 107.334 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.5 135.61 53.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 m -142.55 115.73 8.91 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 47.14 41.76 12.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.046 1.738 . . . . 0.0 113.225 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.55 171.27 12.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.013 1.325 . . . . 0.0 113.147 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -130.34 137.95 50.18 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.164 0.986 . . . . 0.0 109.003 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -137.11 126.92 38.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -134.57 128.73 33.82 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.718 0.807 . . . . 0.0 109.204 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tttm 34.15 50.56 0.37 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 127.05 2.14 . . . . 0.0 112.954 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -125.73 161.24 27.76 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -114.93 132.49 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 137.19 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.335 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.1 m -135.92 131.01 34.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.645 1.178 . . . . 0.0 108.117 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 45.95 46.98 12.56 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.775 2.03 . . . . 0.0 112.099 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.08 165.15 11.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.038 0.935 . . . . 0.0 109.003 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -132.24 119.35 20.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.7 mt -123.04 100.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 -169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.41 127.23 56.05 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -172.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.54 28.69 4.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.089 1.356 . . . . 0.0 113.389 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -118.73 167.45 11.66 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.292 -169.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.83 135.58 51.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.84 130.19 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.13 133.26 33.16 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt 48.51 27.92 1.58 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.588 1.086 . . . . 0.0 113.799 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -112.03 163.81 13.85 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.027 -1.045 . . . . 0.0 111.137 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 m -128.47 107.02 9.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.902 1.281 . . . . 0.0 108.749 -177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.47 131.4 44.76 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.312 0.645 . . . . 0.0 109.37 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.7 m -134.07 113.88 12.57 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.55 37.31 66.84 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 119.208 -0.773 . . . . 0.0 112.715 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -132.23 178.44 6.81 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.485 1.114 . . . . 0.0 110.341 -169.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.48 140.84 35.4 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -123.97 134.65 53.44 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.37 118.29 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 171.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.37 94.18 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.731 -1.038 . . . . 0.0 113.415 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -125.02 164.58 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 118.968 1.384 . . . . 0.0 111.768 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -122.97 122.72 39.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 169.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.08 131.92 42.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -134.77 142.27 46.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.983 0.42 . . . . 0.0 111.508 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 52.78 31.2 10.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.441 1.497 . . . . 0.0 113.62 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -120.12 174.77 6.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.907 0.883 . . . . 0.0 111.927 -169.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -137.4 139.49 40.75 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.458 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p -138.63 130.56 28.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 m -132.65 128.37 36.92 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.085 0.954 . . . . 0.0 108.607 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.56 32.55 39.14 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 118.264 -1.298 . . . . 0.0 114.411 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -129.7 165.2 22.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.313 2.056 . . . . 0.0 110.963 -171.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 t -130.12 131.6 45.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -127.45 135.57 62.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.3 m -136.44 166.28 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.146 1.378 . . . . 0.0 109.867 -170.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.95 -149.17 0.18 Allowed Glycine 0 CA--C 1.542 1.736 0 C-N-CA 126.775 2.131 . . . . 0.0 113.867 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.32 -14.55 31.61 Favored 'Cis proline' 0 CA--C 1.538 0.703 0 CA-C-N 119.595 1.698 . . . . 0.0 115.298 10.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 40.8 0.92 Allowed Glycine 0 N--CA 1.465 0.615 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.04 132.58 51.02 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.749 0.82 . . . . 0.0 111.47 -169.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.8 m -139.05 124.83 19.66 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 126.704 2.002 . . . . 0.0 105.752 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.95 135.12 48.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.8 m -135.38 137.86 42.75 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.238 1.015 . . . . 0.0 109.409 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.84 37.46 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.632 1.573 . . . . 0.0 114.358 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.7 m -100.6 161.84 13.33 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.091 0.957 . . . . 0.0 110.824 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.5 m -129.07 130.92 47.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 104.046 -2.576 . . . . 0.0 104.046 169.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mt -135.92 132.21 50.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.2 m -131.1 123.04 27.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 43.63 41.82 3.76 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.517 1.527 . . . . 0.0 113.522 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.12 69.64 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.002 -0.888 . . . . 0.0 113.352 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.69 111.19 29.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 150.72 41.2 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.3 p -64.91 152.19 91.42 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 123.19 0.596 . . . . 0.0 110.439 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.66 12.2 2.84 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.658 2.905 . . . . 0.0 113.198 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.65 136.57 53.16 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.972 0.909 . . . . 0.0 109.173 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.61 62.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.405 0.682 . . . . 0.0 112.401 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.4 72.06 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.968 0.507 . . . . 0.0 111.312 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.54 127.85 34.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -132.86 131.06 40.55 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 tt -143.81 147.79 19.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.325 1.05 . . . . 0.0 109.17 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -157.77 150.04 22.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 109.15 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.62 19.11 70.76 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.762 -1.021 . . . . 0.0 114.687 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 81.3 m -110.93 163.47 13.78 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.535 1.167 . . . . 0.0 112.222 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.8 m -136.31 139.04 42.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 168.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.23 155.3 41.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.868 0.758 . . . . 0.0 111.435 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 m -155.34 170.8 21.05 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.502 1.521 . . . . 0.0 109.878 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.32 148.41 49.75 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 168.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.499 0.72 . . . . 0.0 109.247 176.122 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.3 164.16 37.46 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.5 p -96.52 -165.94 1.34 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.247 1.019 . . . . 0.0 110.538 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.2 m -70.79 -13.76 62.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 117.679 -1.153 . . . . 0.0 113.409 169.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 t 34.34 58.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.511 1.924 . . . . 0.0 109.193 -169.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -76.74 102.82 6.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.517 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -68.51 -54.98 13.33 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -170.14 81.3 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.175 1.79 . . . . 0.0 107.512 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -144.48 168.63 19.66 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.409 1.484 . . . . 0.0 110.844 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -128.5 134.79 48.78 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.03 1.332 . . . . 0.0 108.506 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.62 122.85 17.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.7 p -71.73 168.85 16.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.303 0.573 . . . . 0.0 111.726 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.62 -27.32 62.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.573 1.149 . . . . 0.0 113.837 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -109.99 -0.46 18.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.293 0.637 . . . . 0.0 112.12 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -78.58 165.75 23.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -143.45 149.89 38.24 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 p -136.17 129.25 31.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.72 134.56 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 pttt 34.68 45.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.606 1.962 . . . . 0.0 113.177 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -139.99 178.4 7.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.96 1.704 . . . . 0.0 108.211 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.3 m -136.05 141.85 44.33 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -173.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.62 120.45 12.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.93 0.492 . . . . 0.0 109.76 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.5 m -125.71 124.71 41.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 108.801 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.67 37.62 3.45 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.769 1.628 . . . . 0.0 112.04 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.1 t -94.64 152.75 18.24 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -126.11 125.54 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 30' ' ' SER . 27.9 mt -127.74 106.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 -172.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -115.39 120.24 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 125.357 1.463 . . . . 0.0 108.269 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 t30 40.16 32.02 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.754 2.021 . . . . 0.0 113.713 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.9 m -117.41 156.89 27.15 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.862 0.865 . . . . 0.0 111.636 -169.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -125.35 117.03 22.85 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -169.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -117.73 104.55 11.1 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 125.181 1.392 . . . . 0.0 107.502 -171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.16 163.45 36.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 112.823 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 t70 52.77 66.51 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.216 1.806 . . . . 0.0 113.599 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.09 33.0 19.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.984 1.713 . . . . 0.0 113.255 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.3 m -76.02 149.9 37.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.04 133.24 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -129.53 135.76 49.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 m -139.3 118.52 12.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 44.82 39.91 3.89 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.053 1.741 . . . . 0.0 114.197 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -125.69 167.79 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.603 0.761 . . . . 0.0 111.882 -172.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -119.47 132.89 55.88 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.686 1.594 . . . . 0.0 108.052 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.0 133.8 54.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m -141.4 118.84 11.51 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.12 42.55 3.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.538 1.935 . . . . 0.0 113.057 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.95 167.03 12.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.95 1.3 . . . . 0.0 112.142 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -132.21 143.65 50.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.28 1.032 . . . . 0.0 109.034 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.14 130.59 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -133.9 124.75 26.95 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.33 47.93 1.57 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.431 1.892 . . . . 0.0 113.262 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -126.6 150.53 48.83 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.33 124.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.24 130.97 41.64 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.6 m -137.0 123.6 20.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 t70 50.24 46.71 24.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.56 1.544 . . . . 0.0 113.434 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.3 m -116.85 165.11 13.7 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.427 -0.796 . . . . 0.0 111.607 -174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -132.58 111.55 11.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -124.76 110.7 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -169.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -123.66 135.15 53.74 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm 49.86 21.22 0.66 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.249 1.819 . . . . 0.0 114.377 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -109.81 164.28 12.72 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.973 0.806 . . . . 0.0 112.839 -168.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -128.35 126.39 40.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.94 133.47 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 123.9 0.88 . . . . 0.0 108.855 -168.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -143.11 127.8 18.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.683 0.793 . . . . 0.0 109.665 -173.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt 44.1 35.08 1.09 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.845 1.202 . . . . 0.0 113.977 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -115.26 159.16 21.34 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 120.942 -1.099 . . . . 0.0 110.307 -169.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.9 m -125.36 126.93 45.82 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -123.59 126.88 47.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.848 1.259 . . . . 0.0 108.124 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -134.61 118.74 17.54 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 31.28 58.64 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.998 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.3 m -125.5 169.75 12.11 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.267 1.034 . . . . 0.0 111.092 -169.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -139.98 129.89 24.74 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.482 -0.761 . . . . 0.0 109.005 -169.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -119.86 139.97 51.55 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -140.73 105.94 5.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.578 0.751 . . . . 0.0 109.145 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.77 45.51 88.27 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-O 118.8 -1.0 . . . . 0.0 112.78 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.9 156.21 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 118.828 1.314 . . . . 0.0 110.912 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -114.14 125.7 54.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 168.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -138.59 128.44 32.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -128.72 144.59 51.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.598 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m 53.81 27.19 6.79 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.927 1.291 . . . . 0.0 113.582 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 m -117.13 173.5 6.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.675 0.79 . . . . 0.0 112.097 -169.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -134.46 135.08 42.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.354 1.062 . . . . 0.0 108.205 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -135.64 125.77 26.18 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 120.64 22.39 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 44.58 74.53 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 117.401 -1.777 . . . . 0.0 113.017 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 t -140.24 151.16 44.93 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.137 2.469 . . . . 0.0 111.209 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 m -109.54 145.13 36.83 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.394 1.077 . . . . 0.0 108.45 171.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.6 mt -142.48 131.06 21.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -137.68 167.39 21.79 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.807 1.243 . . . . 0.0 109.971 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.44 -86.18 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 169.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.53 166.89 77.16 Favored 'Cis proline' 0 CA--C 1.541 0.846 0 CA-C-N 119.945 1.873 . . . . 0.0 110.816 -10.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.71 15.73 78.86 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.13 144.86 56.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.019 0.928 . . . . 0.0 108.71 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -138.48 126.35 22.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.318 1.447 . . . . 0.0 107.37 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 mt -138.2 137.94 43.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 124.574 1.15 . . . . 0.0 108.052 -174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -139.06 141.24 38.21 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.167 0.587 . . . . 0.0 110.118 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.48 33.93 3.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.27 1.828 . . . . 0.0 113.984 169.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 t -104.87 165.51 11.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.926 0.89 . . . . 0.0 110.745 -173.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.1 m -129.14 128.68 43.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -136.27 134.76 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 m -141.51 134.04 28.35 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.657 0.783 . . . . 0.0 109.283 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 43.99 38.19 2.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.241 1.816 . . . . 0.0 114.995 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.44 11.8 63.83 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.758 -1.023 . . . . 0.0 113.326 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 123.13 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 119.053 1.426 . . . . 0.0 107.808 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.24 142.22 39.64 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.9 m -69.3 133.13 89.47 Favored Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.34 19.09 0.74 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.784 2.989 . . . . 0.0 113.832 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.42 142.41 58.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.931 0.892 . . . . 0.0 108.923 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.59 63.7 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.7 -27.93 65.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.1 -0.476 . . . . 0.0 111.65 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.01 132.9 46.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.778 0.717 . . . . 0.0 109.165 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -131.56 135.59 47.14 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.8 tt -145.11 142.38 22.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 125.279 1.431 . . . . 0.0 107.752 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.6 m -157.69 141.9 16.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.18 0.992 . . . . 0.0 109.438 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.03 26.09 73.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 119.15 -0.806 . . . . 0.0 113.385 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 86.4 m -116.5 159.69 21.7 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.393 1.096 . . . . 0.0 112.016 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.8 m -132.85 149.77 52.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 127.111 2.164 . . . . 0.0 106.288 169.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.96 151.47 49.64 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.09 0.956 . . . . 0.0 109.007 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.61 167.2 31.17 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.326 1.05 . . . . 0.0 109.511 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.22 -178.78 4.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.927 0.87 . . . . 0.0 111.796 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mmm . . . . . 0 C--O 1.247 0.954 0 C-N-CA 127.928 2.491 . . . . 0.0 104.747 169.874 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.94 179.62 48.7 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -142.52 -59.58 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.8 1.24 . . . . 0.0 107.825 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.75 151.42 32.35 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.14 1.376 . . . . 0.0 108.113 174.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.19 70.7 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.59 135.72 38.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.908 -0.495 . . . . 0.0 109.667 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 m -130.58 93.2 3.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.159 2.183 . . . . 0.0 106.318 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.8 t30 53.5 18.22 1.33 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.434 2.294 . . . . 0.0 116.067 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -74.22 159.38 32.58 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 120.516 -1.365 . . . . 0.0 110.413 170.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -103.63 134.33 47.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.96 119.9 24.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -68.19 167.99 13.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.057 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.91 60.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.311 1.044 . . . . 0.0 113.522 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -106.89 -13.83 15.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.8 m -63.85 163.44 11.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.497 . . . . 0.0 110.028 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -132.56 141.54 48.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 t -137.32 116.12 12.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -142.04 117.78 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 63.8 -25.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.128 2.571 . . . . 0.0 114.577 -173.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.6 m -58.51 170.16 0.8 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.677 1.991 . . . . 0.0 113.497 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -123.2 137.12 54.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.88 117.41 12.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -113.83 104.84 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.42 42.15 3.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.125 2.17 . . . . 0.0 112.907 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.4 m -84.13 172.52 11.87 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.47 117.77 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 30' ' ' SER . 43.9 mt -127.58 110.26 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 -169.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -120.04 123.41 43.37 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 125.605 1.562 . . . . 0.0 108.67 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t30 38.64 33.29 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.254 2.222 . . . . 0.0 113.956 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' HG23 ' A' ' 27' ' ' ILE . 75.3 m -118.39 158.86 24.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.853 0.861 . . . . 0.0 111.418 -169.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.24 6.74 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -172.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.33 93.47 6.89 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.08 177.33 6.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 121.323 -0.86 . . . . 0.0 112.034 -169.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 57.76 51.36 9.38 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.108 1.363 . . . . 0.0 111.055 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.8 m 47.52 47.91 17.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.011 1.724 . . . . 0.0 115.046 -174.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -75.18 163.06 27.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 167.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -140.44 131.61 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -134.03 151.28 51.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.0 0.818 . . . . 0.0 110.741 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -138.86 113.77 9.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 56.38 13.98 1.46 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.1 m -84.4 155.15 22.42 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.88 1.218 . . . . 0.0 110.3 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -101.4 133.92 45.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.414 1.486 . . . . 0.0 107.102 171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.28 132.1 52.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.519 -1.659 . . . . 0.0 106.519 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 m -138.79 117.12 11.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 45.46 39.65 4.84 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.355 1.862 . . . . 0.0 113.322 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.87 171.7 7.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.139 1.375 . . . . 0.0 111.928 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.96 143.27 40.63 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.353 1.061 . . . . 0.0 109.222 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.81 131.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.272 1.029 . . . . 0.0 108.534 -169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -132.8 126.57 32.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.601 0.761 . . . . 0.0 109.09 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt 32.47 50.1 0.18 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.071 2.148 . . . . 0.0 113.527 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -122.76 159.81 27.25 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.26 136.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.8 t -140.86 145.68 36.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.584 0.629 . . . . 0.0 110.845 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 m -136.43 112.83 9.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 46.03 56.13 6.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.279 2.232 . . . . 0.0 112.669 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.18 171.32 7.48 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.248 1.019 . . . . 0.0 110.362 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -130.67 110.46 11.39 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.4 mt -122.62 114.24 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -169.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -122.44 131.09 53.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.848 0.859 . . . . 0.0 108.914 -169.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.04 27.06 3.06 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.885 1.674 . . . . 0.0 113.678 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.5 m -115.53 163.7 15.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.588 0.755 . . . . 0.0 111.162 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -121.42 137.24 54.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.07 131.77 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -142.9 132.91 24.27 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.578 0.751 . . . . 0.0 109.187 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.8 mt 48.46 23.55 0.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.35 1.46 . . . . 0.0 114.403 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.4 m -104.79 162.03 13.66 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.972 -1.08 . . . . 0.0 110.652 -169.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.8 m -127.03 128.37 46.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.943 1.297 . . . . 0.0 107.707 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.82 129.75 50.04 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.195 0.998 . . . . 0.0 108.905 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -135.11 117.12 15.31 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.63 36.0 53.34 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.187 -0.785 . . . . 0.0 113.135 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -126.7 174.07 9.02 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.756 1.222 . . . . 0.0 109.977 -170.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -142.98 131.36 22.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -120.39 140.83 50.75 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.67 116.14 11.25 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.13 43.17 99.51 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.689 -1.062 . . . . 0.0 113.395 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -120.81 164.32 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.998 1.399 . . . . 0.0 111.318 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -120.33 125.68 48.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.385 -2.82 . . . . 0.0 103.385 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -138.05 132.21 42.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -131.76 132.11 43.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.072 0.949 . . . . 0.0 108.925 -170.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 51.86 30.97 7.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.876 1.27 . . . . 0.0 113.932 169.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -117.03 174.84 5.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.619 0.768 . . . . 0.0 111.694 -169.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -134.51 135.55 42.45 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.44 1.096 . . . . 0.0 108.117 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -134.73 131.22 37.36 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 m -132.64 126.66 33.16 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 34.83 53.79 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 117.692 -1.616 . . . . 0.0 114.448 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -134.81 149.45 50.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.664 2.232 . . . . 0.0 111.448 -169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -104.65 139.63 39.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.82 128.6 37.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.7 m -138.9 168.85 18.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.565 1.146 . . . . 0.0 109.561 -173.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -142.9 -83.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.35 168.89 71.47 Favored 'Cis proline' 0 CA--C 1.54 0.79 0 CA-C-N 119.838 1.819 . . . . 0.0 111.037 -10.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.45 12.61 80.13 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 123.699 0.666 . . . . 0.0 111.679 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.23 144.04 57.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.231 1.012 . . . . 0.0 108.995 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -139.41 126.32 20.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.294 1.438 . . . . 0.0 107.21 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -137.48 138.85 44.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -139.4 144.24 38.03 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.468 0.707 . . . . 0.0 109.996 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 p 45.78 39.13 4.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.776 2.03 . . . . 0.0 113.699 170.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -112.31 163.47 14.35 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.968 0.907 . . . . 0.0 110.568 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.1 m -129.86 129.1 43.52 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 171.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -136.4 133.39 49.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 -169.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -134.72 123.64 23.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 41.74 42.72 2.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.999 1.72 . . . . 0.0 113.92 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.41 0.01 70.72 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.447 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.2 112.9 42.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.76 143.93 49.4 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 169.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -68.05 134.65 91.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -74.52 78.31 2.75 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.822 3.015 . . . . 0.0 110.105 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.78 137.39 38.18 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.06 1.344 . . . . 0.0 108.309 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.25 66.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.469 0.708 . . . . 0.0 112.598 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.62 74.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.529 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.99 132.03 45.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.608 0.64 . . . . 0.0 110.276 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -126.97 137.99 53.2 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.3 141.45 30.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -154.22 141.11 19.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.556 1.142 . . . . 0.0 109.065 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.17 21.55 73.88 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.865 -0.964 . . . . 0.0 113.993 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.73 162.86 14.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.771 1.286 . . . . 0.0 112.32 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -133.35 134.1 43.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.969 -2.234 . . . . 0.0 104.969 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.5 mp -127.77 141.01 51.7 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 m -149.13 167.39 26.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.569 1.148 . . . . 0.0 109.972 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.49 -178.5 1.78 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.173 0.589 . . . . 0.0 110.453 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.922 1.289 . . . . 0.0 108.08 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.667 0.27 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.7 -31.02 0.51 Allowed Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.728 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -55.83 134.25 51.67 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.537 1.135 . . . . 0.0 110.373 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.7 m -65.38 166.83 9.49 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.175 0.59 . . . . 0.0 111.302 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.7 56.64 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -80.52 128.73 33.93 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.586 -0.696 . . . . 0.0 109.358 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -84.85 -56.6 3.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.765 1.226 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -159.64 11.76 0.13 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.884 1.274 . . . . 0.0 111.986 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -71.08 157.38 38.28 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.939 -1.1 . . . . 0.0 110.799 -174.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -99.91 123.92 44.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 mm -124.65 120.05 57.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 -176.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -68.78 167.08 16.19 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.291 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -26.82 56.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.619 1.167 . . . . 0.0 113.812 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -110.17 -1.92 17.15 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.486 0.714 . . . . 0.0 112.176 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.4 m -79.21 167.21 21.29 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -144.26 161.19 39.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.608 0.763 . . . . 0.0 109.439 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 p -133.83 32.9 3.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.686 1.995 . . . . 0.0 111.219 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 t -48.04 119.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.145 1.778 . . . . 0.0 111.371 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt 35.87 40.05 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.535 2.334 . . . . 0.0 114.292 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -127.1 156.45 41.71 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.779 0.832 . . . . 0.0 108.989 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -93.96 142.87 26.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.23 130.88 25.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.67 85.43 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -169.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.75 44.21 28.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.057 1.743 . . . . 0.0 111.871 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 m -87.44 175.04 8.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.576 1.151 . . . . 0.0 108.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -126.21 120.9 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 30' ' ' SER . 5.8 mt -132.09 110.07 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 -174.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -119.45 124.94 47.72 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.902 1.281 . . . . 0.0 109.409 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t30 38.15 36.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.255 2.222 . . . . 0.0 113.613 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -123.01 153.14 40.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 121.881 0.848 . . . . 0.0 111.72 -169.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -119.23 91.97 3.68 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -169.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -82.33 119.92 24.75 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.57 162.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 118.815 0.734 . . . . 0.0 111.574 -171.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t0 36.38 88.32 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 128.76 2.824 . . . . 0.0 114.583 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.77 32.28 9.32 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -76.73 169.7 17.82 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.25 140.6 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.9 p -128.48 152.41 48.29 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.6 m -141.49 109.28 5.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.8 tpt85 55.11 16.24 1.51 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.995 1.318 . . . . 0.0 114.047 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -83.25 160.79 21.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.025 -1.047 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -118.07 124.7 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.899 1.68 . . . . 0.0 107.26 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -113.94 144.05 43.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -146.71 119.04 8.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 45.34 42.84 7.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.615 1.966 . . . . 0.0 113.413 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.86 9.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.343 1.457 . . . . 0.0 111.988 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.8 139.66 38.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.201 -0.937 . . . . 0.0 109.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.27 129.47 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.1 128.77 32.82 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.915 0.886 . . . . 0.0 109.711 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 30.99 52.13 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.346 2.258 . . . . 0.0 113.087 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.6 m -127.04 164.04 22.41 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.2 130.28 74.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -171.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -144.37 142.83 30.62 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.544 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -136.67 119.3 16.02 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 107.855 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 43.98 59.38 3.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.08 2.152 . . . . 0.0 112.234 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.46 168.9 9.46 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.468 0.707 . . . . 0.0 110.286 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -129.06 114.15 16.03 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.08 107.93 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.64 127.05 50.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -170.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp 50.56 31.59 5.81 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.9 1.28 . . . . 0.0 112.968 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -122.01 163.62 19.05 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.007 0.923 . . . . 0.0 110.613 -169.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.82 139.83 53.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.26 129.96 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -136.96 136.93 38.98 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.82 31.19 3.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.04 1.336 . . . . 0.0 114.177 173.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -116.25 164.23 14.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.88 1.272 . . . . 0.0 110.949 -169.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.6 m -125.48 135.76 52.65 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.46 1.104 . . . . 0.0 108.67 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 t -132.85 128.61 37.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.216 1.007 . . . . 0.0 109.263 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 m -137.72 123.55 20.03 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.24 37.82 47.88 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 123.56 0.6 . . . . 0.0 112.795 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.1 m -130.79 169.76 15.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.171 1.388 . . . . 0.0 109.301 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -136.39 146.05 46.03 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -124.72 130.8 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.9 116.08 15.2 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.81 45.62 94.67 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.8 -1.0 . . . . 0.0 113.244 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.71 160.84 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.296 1.548 . . . . 0.0 109.803 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.27 12.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 tt -117.6 134.63 60.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.93 0.892 . . . . 0.0 109.074 -171.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -138.8 139.9 38.39 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.554 0.342 . . . . 0.0 111.513 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.3 m 51.65 34.27 12.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.208 1.403 . . . . 0.0 113.084 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.3 m -122.7 179.46 4.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.008 0.923 . . . . 0.0 112.123 -169.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -146.08 137.7 24.89 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.578 -1.326 . . . . 0.0 108.697 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 p -138.25 129.04 26.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -136.58 117.91 14.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.34 45.25 96.34 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.076 -0.847 . . . . 0.0 111.831 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.474 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -140.98 114.98 9.13 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.693 1.247 . . . . 0.0 111.247 -169.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.6 m -88.35 130.62 35.1 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.9 132.46 43.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -138.51 150.86 46.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.456 1.102 . . . . 0.0 109.586 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.95 -98.17 2.54 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 108.373 -1.891 . . . . 0.0 108.373 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.09 161.68 93.36 Favored 'Cis proline' 0 CA--C 1.54 0.794 0 CA-C-N 119.961 1.881 . . . . 0.0 111.474 -7.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.42 19.34 76.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.289 0.947 . . . . 0.0 112.039 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.24 157.47 35.81 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.025 0.912 . . . . 0.0 110.311 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 t -132.03 140.87 49.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.005 1.322 . . . . 0.0 108.032 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.4 mt -137.84 137.44 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 m -139.32 145.4 39.02 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.044 0.538 . . . . 0.0 110.922 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p 43.64 44.48 5.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.795 1.638 . . . . 0.0 114.18 168.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.8 t -126.16 156.17 40.57 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.686 -0.634 . . . . 0.0 111.059 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.6 m -123.25 135.46 54.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.3 mt -136.75 130.19 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 m -131.81 122.85 26.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 38.96 51.75 1.9 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.769 1.628 . . . . 0.0 112.503 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.474 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.56 -7.02 70.52 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.797 -1.002 . . . . 0.0 114.343 173.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.82 109.09 23.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 119.384 1.592 . . . . 0.0 107.058 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 144.92 49.38 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.6 p -67.48 155.04 92.01 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 122.823 0.449 . . . . 0.0 110.918 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.96 30.08 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.378 3.385 . . . . 0.0 112.059 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.57 -14.27 62.9 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 59.56 -26.51 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 129.563 3.145 . . . . 0.0 114.846 -170.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -24.16 67.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.716 1.207 . . . . 0.0 111.398 169.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.75 121.18 6.73 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.976 0.91 . . . . 0.0 110.475 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -131.63 134.19 45.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.52 136.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 -178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.8 m -141.96 123.18 14.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.495 1.118 . . . . 0.0 108.375 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.64 17.49 78.08 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.57 -1.128 . . . . 0.0 114.897 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 163.88 12.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.287 1.543 . . . . 0.0 112.469 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.3 m -137.43 143.4 41.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.587 2.755 . . . . 0.0 104.557 169.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -147.9 166.15 28.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.975 0.807 . . . . 0.0 111.995 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.1 m -144.77 141.13 28.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.996 1.719 . . . . 0.0 108.251 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.82 145.91 40.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.08 0.552 . . . . 0.0 110.343 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 C--O 1.249 1.037 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 169.234 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.79 -174.64 45.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -57.55 136.5 56.75 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -163.37 157.57 20.17 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.36 122.84 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -140.85 129.26 22.51 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.279 0.632 . . . . 0.0 109.671 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -79.81 -67.59 0.75 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -159.16 34.11 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.213 2.205 . . . . 0.0 109.855 -175.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -79.64 160.71 26.25 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 120.78 -1.2 . . . . 0.0 110.381 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.78 132.81 43.06 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.47 111.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 169.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -70.77 169.1 15.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 111.297 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.77 46.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.111 1.364 . . . . 0.0 114.415 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -117.17 6.78 12.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.698 0.799 . . . . 0.0 111.997 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -82.55 172.05 13.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.755 -0.59 . . . . 0.0 109.623 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -141.24 154.03 45.56 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.022 0.929 . . . . 0.0 109.485 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.96 28.82 2.59 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.451 1.501 . . . . 0.0 111.618 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -56.36 130.49 19.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 124.075 0.95 . . . . 0.0 110.905 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 pttt 37.47 40.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.726 2.41 . . . . 0.0 112.961 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -132.8 167.17 20.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.159 1.384 . . . . 0.0 108.674 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -125.04 134.48 52.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.6 122.59 26.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.408 0.683 . . . . 0.0 109.355 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -114.56 96.2 5.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 40.5 48.19 2.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 -173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.1 m -85.07 174.37 9.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -133.87 112.09 11.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HB2' ' A' ' 30' ' ' SER . 33.9 mt -122.62 110.91 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -169.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -115.2 116.47 28.41 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.256 1.822 . . . . 0.0 108.495 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 41.95 34.11 0.42 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.322 1.849 . . . . 0.0 114.351 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.453 ' HB2' HG23 ' A' ' 27' ' ' ILE . 68.4 m -121.62 151.47 40.37 Favored 'General case' 0 CA--C 1.526 0.053 0 O-C-N 121.293 -0.879 . . . . 0.0 112.039 -169.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.31 93.11 4.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.78 108.04 16.57 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.61 165.62 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.341 1.428 . . . . 0.0 112.172 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 52.84 72.5 0.41 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 126.435 1.894 . . . . 0.0 113.3 172.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.25 1.1 m 50.72 36.86 15.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.336 1.854 . . . . 0.0 114.0 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -78.78 151.52 31.94 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.18 130.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -172.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -132.38 150.86 52.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.678 0.672 . . . . 0.0 110.301 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -138.62 111.42 7.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 55.98 16.21 2.07 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -85.12 154.91 21.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.339 0.972 . . . . 0.0 109.996 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -100.56 133.98 44.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.359 1.464 . . . . 0.0 107.101 170.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.69 133.05 53.34 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 169.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -139.29 117.84 12.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.61 41.88 3.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.582 1.953 . . . . 0.0 113.38 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.39 166.0 15.41 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.324 1.45 . . . . 0.0 111.884 -169.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.12 144.56 50.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.304 1.042 . . . . 0.0 109.184 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 132.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 123.977 0.911 . . . . 0.0 109.081 -169.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -130.66 125.95 35.33 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt 35.38 49.53 0.49 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.237 2.215 . . . . 0.0 113.568 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -123.36 158.46 31.02 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.76 133.18 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -172.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 t -138.96 144.08 38.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.7 m -136.51 114.94 11.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.802 1.241 . . . . 0.0 107.782 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 47.24 51.8 12.82 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.595 1.958 . . . . 0.0 112.697 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -107.44 172.51 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.587 0.755 . . . . 0.0 110.729 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -135.66 102.11 4.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.7 mt -117.6 118.46 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -168.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.06 131.95 50.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.92 0.888 . . . . 0.0 109.115 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttp 50.75 29.16 4.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.915 1.686 . . . . 0.0 113.643 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -118.11 163.48 16.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.671 0.788 . . . . 0.0 110.935 -170.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -123.38 134.86 53.95 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.49 133.92 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.604 1.162 . . . . 0.0 108.223 -168.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.44 133.79 29.82 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.1 mt 47.06 27.67 0.79 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.021 1.328 . . . . 0.0 114.298 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -109.25 162.34 14.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.54 1.136 . . . . 0.0 110.94 -169.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m -127.26 128.48 46.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.555 1.142 . . . . 0.0 108.052 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.1 t -126.58 130.64 50.91 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.08 0.952 . . . . 0.0 109.105 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.7 m -135.79 120.57 18.47 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.46 43.05 51.96 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.754 171.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -136.62 171.3 14.69 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.192 0.997 . . . . 0.0 111.077 -170.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -133.71 140.76 47.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -122.75 140.73 52.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.62 116.69 12.5 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.7 45.3 94.81 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.575 -1.125 . . . . 0.0 113.357 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.2 164.58 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 119.11 1.455 . . . . 0.0 111.453 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -123.6 119.45 29.91 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 169.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -135.76 128.21 46.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -131.36 138.84 49.33 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.775 0.43 . . . . 0.0 110.526 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 53.05 30.38 9.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.493 1.517 . . . . 0.0 113.632 171.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.2 m -117.78 175.29 5.72 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.758 0.823 . . . . 0.0 111.951 -169.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -136.74 138.14 40.66 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.439 1.096 . . . . 0.0 108.742 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 p -138.24 127.3 24.15 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.314 1.046 . . . . 0.0 108.611 -177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 m -138.32 117.75 12.88 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.25 1.02 . . . . 0.0 109.314 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.69 43.14 99.4 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 121.568 -0.708 . . . . 0.0 111.61 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -132.72 154.05 50.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.951 0.875 . . . . 0.0 111.134 -169.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -126.33 132.13 51.67 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 169.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.5 mm -127.36 130.96 70.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 -169.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -147.05 169.82 18.45 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.722 -0.611 . . . . 0.0 110.193 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.33 -79.16 0.04 OUTLIER Glycine 0 CA--C 1.531 1.09 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.68 171.0 63.46 Favored 'Cis proline' 0 CA--C 1.54 0.778 0 CA-C-N 119.89 1.845 . . . . 0.0 110.904 -10.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.74 20.66 73.46 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.63 143.79 53.14 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.177 0.991 . . . . 0.0 108.754 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.1 m -136.71 127.25 26.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.385 1.474 . . . . 0.0 107.557 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 mt -138.05 132.13 42.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -134.71 131.94 38.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.874 0.869 . . . . 0.0 108.96 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.255 7.6 p 48.21 32.01 2.88 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.844 1.658 . . . . 0.0 114.634 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 98.5 m -91.77 160.68 15.21 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.284 -0.885 . . . . 0.0 111.127 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.2 m -130.12 123.18 29.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.451 HG22 HG21 ' A' ' 86' ' ' THR . 7.9 mt -132.23 131.61 60.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -170.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 m -137.96 137.91 38.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -174.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 40.06 46.18 1.77 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.119 1.767 . . . . 0.0 113.66 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 86' ' ' THR . . . 86.43 1.87 85.57 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 117.509 -1.717 . . . . 0.0 115.093 172.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 p -131.73 138.39 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.443 2.122 . . . . 0.0 110.536 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.6 146.84 35.96 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.329 0.652 . . . . 0.0 109.81 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -68.43 136.07 90.91 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.05 18.95 0.61 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.698 2.932 . . . . 0.0 113.944 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.26 138.39 58.18 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.137 0.975 . . . . 0.0 109.169 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.36 -18.5 61.67 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.305 0.642 . . . . 0.0 112.367 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.74 -26.62 67.08 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.761 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 54.0 t -73.75 130.15 39.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.251 0.932 . . . . 0.0 109.277 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -131.01 132.32 44.9 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -143.72 146.32 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.244 1.018 . . . . 0.0 108.876 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m -157.55 146.04 19.34 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.281 1.032 . . . . 0.0 109.582 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.12 73.29 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.949 -0.917 . . . . 0.0 113.747 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 77.7 m -115.01 159.62 20.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.576 1.188 . . . . 0.0 112.059 -171.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.8 m -130.53 144.82 51.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.176 2.19 . . . . 0.0 106.256 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -129.12 143.55 50.9 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.628 1.171 . . . . 0.0 108.474 -174.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.4 m -142.32 152.01 42.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 108.876 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.38 30.51 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.464 0.706 . . . . 0.0 109.887 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 81.4 mmm . . . . . 0 C--O 1.251 1.149 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 169.276 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 119.423 -0.322 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.67 -168.58 40.23 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 m -121.77 59.04 0.99 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -146.24 165.43 29.24 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.106 1.363 . . . . 0.0 111.325 -169.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -82.15 72.37 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -80.76 121.49 25.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -78.93 -56.43 4.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.829 0.852 . . . . 0.0 109.541 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -162.53 15.54 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.049 1.339 . . . . 0.0 111.556 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -73.09 161.86 30.13 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.672 1.189 . . . . 0.0 111.055 -174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.86 135.11 49.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.435 1.494 . . . . 0.0 107.225 175.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.66 115.58 17.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -70.65 168.17 17.05 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.257 0.551 . . . . 0.0 111.579 -176.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 -27.25 61.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.93 1.292 . . . . 0.0 114.411 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -114.18 4.16 15.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.547 0.739 . . . . 0.0 111.97 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.2 m -81.73 166.13 20.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 169.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.37 150.82 39.67 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 t -133.98 124.67 26.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.14 133.9 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 pttt 38.28 44.5 0.7 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.69 2.396 . . . . 0.0 113.591 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -136.9 177.73 7.63 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.107 1.363 . . . . 0.0 108.95 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -122.16 142.77 50.07 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.47 122.23 18.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 88.49 2.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -170.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.42 51.69 16.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.456 1.902 . . . . 0.0 111.588 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.38 175.1 5.81 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.175 0.99 . . . . 0.0 109.878 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.72 122.96 24.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' A' ' 30' ' ' SER . 21.3 mt -128.67 105.83 13.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 -169.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -110.63 115.66 29.98 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 125.734 1.614 . . . . 0.0 108.353 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t30 41.3 34.62 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.221 1.808 . . . . 0.0 113.961 -171.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.1 m -120.57 158.81 26.53 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.081 0.953 . . . . 0.0 111.23 -169.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -124.91 130.75 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -129.84 115.93 17.95 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.583 1.153 . . . . 0.0 108.053 -174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -142.33 164.46 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 50.54 74.81 0.2 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 127.732 2.413 . . . . 0.0 114.728 169.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m 50.13 41.58 23.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.257 1.823 . . . . 0.0 114.302 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -78.44 157.24 29.03 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 167.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.2 mt -139.25 96.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.4 t -87.68 143.88 26.94 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -137.99 122.95 19.0 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 45.31 23.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.322 2.649 . . . . 0.0 116.165 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -99.53 162.34 13.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.951 0.796 . . . . 0.0 110.997 -171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -110.64 129.49 55.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -117.31 136.98 52.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 m -141.59 115.46 9.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 44.09 43.52 5.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.842 2.057 . . . . 0.0 113.138 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.31 169.28 11.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.033 1.333 . . . . 0.0 112.222 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -131.08 140.61 50.07 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.108 0.963 . . . . 0.0 109.209 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.49 128.34 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -136.2 130.96 33.96 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.503 0.721 . . . . 0.0 109.509 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 35.76 48.85 0.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.664 1.986 . . . . 0.0 113.091 -176.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.8 m -128.32 155.87 43.96 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.41 136.15 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 -169.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -132.68 158.37 42.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 110.988 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -148.02 112.83 5.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 169.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 49.9 59.92 4.18 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 112.571 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 m -117.39 166.75 11.95 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.793 0.837 . . . . 0.0 110.582 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -131.13 122.31 26.45 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.7 mt -129.56 101.59 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -111.92 129.03 56.31 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 46.91 36.32 3.9 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.804 1.642 . . . . 0.0 113.306 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -121.73 166.79 13.78 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.513 0.725 . . . . 0.0 111.283 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -129.03 132.4 47.48 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.42 131.53 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -169.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -139.87 132.73 29.21 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt 49.25 27.37 1.84 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.324 1.05 . . . . 0.0 113.507 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -111.95 160.54 17.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.413 1.085 . . . . 0.0 111.231 -168.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 m -124.97 129.65 50.77 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.534 1.133 . . . . 0.0 108.103 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.47 126.02 43.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.048 0.939 . . . . 0.0 108.884 -174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -132.6 119.1 20.02 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.58 39.63 60.96 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.936 -0.925 . . . . 0.0 112.631 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -133.9 163.35 29.71 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.169 0.984 . . . . 0.0 112.54 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -120.27 136.7 54.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.201 1.0 . . . . 0.0 108.887 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -118.09 134.22 55.19 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 170.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -142.09 101.74 3.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.168 0.587 . . . . 0.0 109.568 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.32 43.83 68.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.997 -0.89 . . . . 0.0 112.896 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.77 163.69 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 118.902 1.351 . . . . 0.0 111.826 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -120.1 123.92 44.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.5 tt -136.92 132.07 47.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -136.97 133.54 35.71 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.835 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.6 m 52.33 32.46 11.07 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.914 1.285 . . . . 0.0 113.285 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -121.04 175.32 6.13 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.849 0.86 . . . . 0.0 112.053 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -137.72 138.58 39.48 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.205 1.002 . . . . 0.0 108.839 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 p -137.47 132.02 32.73 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.8 m -137.51 116.63 12.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.28 1.032 . . . . 0.0 108.687 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.03 53.59 45.17 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -139.73 159.49 42.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 117.888 0.844 . . . . 0.0 111.881 -169.369 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 m -130.75 128.56 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.67 130.87 64.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.2 m -136.92 153.92 50.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.432 1.093 . . . . 0.0 110.847 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.67 -108.93 2.27 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 107.347 -2.301 . . . . 0.0 107.347 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -58.54 154.54 38.77 Favored 'Cis proline' 0 C--N 1.348 0.534 0 CA-C-N 120.596 2.198 . . . . 0.0 112.837 -10.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.91 18.93 71.37 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 123.583 0.611 . . . . 0.0 111.935 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.36 148.54 49.52 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 173.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.8 m -143.25 127.03 17.13 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.7 mt -137.39 136.99 46.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 125.396 1.478 . . . . 0.0 107.189 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.3 m -139.03 141.74 38.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.115 0.566 . . . . 0.0 109.629 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 p 45.95 36.92 3.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.562 1.945 . . . . 0.0 114.132 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -112.29 160.94 17.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 110.351 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.2 m -128.18 135.89 50.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 mt -137.46 129.69 41.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 m -133.68 125.33 28.42 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 41.59 48.52 3.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.688 1.195 . . . . 0.0 112.173 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.531 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.05 -16.19 17.55 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-O 118.897 -0.946 . . . . 0.0 114.247 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.06 104.25 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 119.434 1.617 . . . . 0.0 107.361 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.04 149.37 43.25 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 p -63.83 144.43 98.0 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 122.87 0.468 . . . . 0.0 110.268 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 3.93 7.45 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.404 2.736 . . . . 0.0 113.71 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.8 141.93 56.35 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.421 1.088 . . . . 0.0 109.401 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.49 60.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.239 0.615 . . . . 0.0 112.439 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.16 72.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.591 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.3 t -71.49 123.84 23.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.215 0.916 . . . . 0.0 108.778 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -120.26 139.81 52.14 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.99 131.71 52.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 m -138.56 22.55 2.71 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.73 48.01 0.01 OUTLIER Glycine 0 N--CA 1.467 0.76 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.548 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.3 m -122.79 163.07 20.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.038 0.919 . . . . 0.0 112.618 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 m -128.26 141.82 51.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 169.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -147.91 166.84 26.44 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.544 0.611 . . . . 0.0 111.298 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.0 m -157.24 164.42 37.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.597 1.559 . . . . 0.0 108.96 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.87 155.89 38.28 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.756 0.422 . . . . 0.0 110.111 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.255 1.022 . . . . 0.0 108.468 169.425 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.65 -178.13 48.62 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -140.12 42.68 1.93 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.589 1.555 . . . . 0.0 108.209 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t -69.77 162.24 28.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.93 0.892 . . . . 0.0 111.746 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.89 73.9 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 103.253 -2.869 . . . . 0.0 103.253 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -75.06 117.09 16.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.033 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -83.92 -56.82 3.48 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -164.12 54.5 0.15 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.015 1.726 . . . . 0.0 107.35 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -123.66 169.1 11.82 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.293 1.437 . . . . 0.0 112.143 -168.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -126.41 133.73 51.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.957 1.303 . . . . 0.0 107.691 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -129.87 118.27 43.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 p -72.68 166.08 23.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.183 0.516 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -26.57 60.49 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.024 1.329 . . . . 0.0 114.394 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -115.3 3.72 14.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 111.96 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -78.53 168.76 19.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -140.11 151.11 45.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.1 t -134.62 118.02 16.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 t -130.54 120.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 50.3 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.492 2.317 . . . . 0.0 115.289 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 m -98.77 159.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.006 0.922 . . . . 0.0 110.956 -168.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -105.89 141.92 36.48 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.4 102.61 6.96 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -99.14 81.87 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 50.77 77.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.048 1.739 . . . . 0.0 111.947 -169.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -130.9 167.76 18.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.567 1.147 . . . . 0.0 109.928 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -134.41 114.97 13.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -120.67 108.69 23.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -169.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.03 117.47 33.42 Favored 'General case' 0 CA--C 1.526 0.041 0 C-N-CA 126.388 1.875 . . . . 0.0 108.563 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 40.22 33.95 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.741 2.016 . . . . 0.0 114.638 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.454 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -117.09 154.73 30.5 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.228 -0.92 . . . . 0.0 111.587 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -121.08 95.25 4.62 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -169.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.9 tp -95.57 121.53 37.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.052 1.341 . . . . 0.0 107.685 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.9 167.28 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 119.024 0.829 . . . . 0.0 112.487 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t0 53.81 61.71 2.96 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.787 2.035 . . . . 0.0 112.871 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 49.04 45.85 22.74 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -74.16 159.43 32.57 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.812 -1.922 . . . . 0.0 105.812 167.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.5 98.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.2 144.17 27.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -140.87 128.86 21.95 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 52.87 19.92 1.47 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.84 1.656 . . . . 0.0 114.62 173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 m -107.23 159.12 16.58 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.741 1.155 . . . . 0.0 113.3 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -106.38 126.74 52.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.918 1.687 . . . . 0.0 106.889 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.47 132.59 56.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 169.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.6 m -140.77 117.31 10.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 44.79 41.14 4.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.94 2.096 . . . . 0.0 113.101 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.87 171.75 8.68 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.059 1.344 . . . . 0.0 112.321 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -133.37 139.13 46.64 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.862 0.865 . . . . 0.0 108.776 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.77 127.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -132.33 127.64 36.01 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.798 0.839 . . . . 0.0 108.963 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttm 34.11 52.15 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.819 2.048 . . . . 0.0 112.656 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -127.98 160.1 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.33 136.1 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -133.42 151.89 51.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.366 0.53 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.5 m -138.9 113.24 8.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 169.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.03 65.76 1.33 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.371 1.868 . . . . 0.0 110.978 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.5 t -124.23 164.52 19.37 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.649 1.18 . . . . 0.0 109.615 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -127.35 129.09 46.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -124.15 100.18 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -109.89 128.03 55.09 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 51.02 26.45 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.803 1.641 . . . . 0.0 113.695 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -114.06 167.17 10.89 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.488 0.715 . . . . 0.0 111.499 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -126.75 127.39 44.99 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.42 132.04 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.037 0.935 . . . . 0.0 108.492 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.18 132.58 30.13 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.185 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt 48.06 32.43 2.93 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.31 0.959 . . . . 0.0 113.197 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -116.99 160.11 21.46 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.208 1.003 . . . . 0.0 110.54 -169.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.5 m -127.38 132.62 50.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 108.502 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -125.06 132.5 53.17 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.973 0.909 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -132.84 118.08 18.53 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.32 31.74 63.0 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 118.926 -0.93 . . . . 0.0 113.468 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.4 m -127.66 171.14 11.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.405 1.102 . . . . 0.0 111.121 -170.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -140.44 127.47 20.8 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.568 1.147 . . . . 0.0 107.948 -169.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -112.53 143.53 43.52 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.41 116.33 10.93 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.51 43.04 99.59 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 118.37 -1.239 . . . . 0.0 113.479 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -119.79 162.2 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 119.428 1.614 . . . . 0.0 111.198 -176.473 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -120.05 122.77 41.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.348 -2.464 . . . . 0.0 104.348 169.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -139.59 130.91 33.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 118.509 0.595 . . . . 0.0 109.525 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -131.53 146.56 52.28 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m 53.22 31.46 11.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.852 1.261 . . . . 0.0 113.17 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -123.15 175.14 6.82 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.715 0.689 . . . . 0.0 112.729 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -136.56 139.64 42.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.358 1.063 . . . . 0.0 108.437 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -135.6 131.85 36.36 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -134.33 126.08 28.93 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.629 0.772 . . . . 0.0 108.919 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.47 42.23 50.43 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 118.279 -1.29 . . . . 0.0 114.0 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -139.53 157.01 46.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.341 2.071 . . . . 0.0 111.544 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -114.62 137.93 51.29 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.38 123.15 26.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 -171.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 m -142.06 166.64 24.16 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 111.094 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.3 -84.76 0.06 OUTLIER Glycine 0 CA--C 1.532 1.101 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 169.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -61.93 165.35 36.41 Favored 'Cis proline' 0 CA--C 1.537 0.667 0 CA-C-N 120.293 2.047 . . . . 0.0 112.397 -10.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.54 7.72 64.73 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.095 0.855 . . . . 0.0 112.171 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 11.9 t -60.79 140.03 57.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -134.2 128.01 33.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -137.81 138.81 43.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 124.915 1.286 . . . . 0.0 107.597 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.9 m -140.53 144.44 35.95 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.649 0.379 . . . . 0.0 110.127 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 p 46.82 41.34 10.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.165 1.386 . . . . 0.0 113.757 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.8 t -125.38 164.18 20.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.256 1.023 . . . . 0.0 110.807 -170.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -126.17 137.17 53.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 169.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.66 129.63 61.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.7 m -131.96 120.58 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 41.0 46.79 2.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.394 1.478 . . . . 0.0 113.169 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.74 -0.6 86.66 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.736 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.8 t -107.99 109.57 28.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.02 146.45 45.91 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -64.23 143.88 98.37 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.279 0.632 . . . . 0.0 110.455 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.03 8.49 4.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.529 2.819 . . . . 0.0 113.839 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.47 140.29 58.01 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.193 0.997 . . . . 0.0 109.178 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.45 61.25 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.263 0.625 . . . . 0.0 112.577 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.14 70.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.423 0.556 . . . . 0.0 111.499 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.07 120.61 15.19 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -112.29 144.25 42.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.7 tt -149.61 152.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 124.184 0.994 . . . . 0.0 110.225 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -158.31 152.62 24.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.927 1.291 . . . . 0.0 109.468 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.82 36.67 50.6 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 125.758 1.647 . . . . 0.0 114.215 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.1 t -123.98 156.99 35.42 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.105 0.953 . . . . 0.0 112.757 -169.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -132.69 139.69 47.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.441 1.896 . . . . 0.0 106.872 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.53 149.31 45.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.72 0.808 . . . . 0.0 108.913 -171.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 m -147.0 157.22 43.55 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 110.258 -173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.34 138.8 43.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 C--O 1.247 0.946 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.502 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.956 0.408 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.39 23.24 0.96 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.836 1.208 . . . . 0.0 110.485 169.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 p -140.49 -16.62 0.91 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.137 0.969 . . . . 0.0 112.595 -169.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.67 152.0 32.07 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.656 1.117 . . . . 0.0 110.229 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.31 81.92 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -74.94 108.7 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -75.98 -58.03 3.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.775 0.43 . . . . 0.0 109.989 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -162.65 40.74 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.559 1.543 . . . . 0.0 109.318 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -113.86 170.21 8.43 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.478 1.911 . . . . 0.0 111.199 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -112.22 133.68 54.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 173.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 116.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 103.198 -2.89 . . . . 0.0 103.198 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.6 p -68.69 168.61 12.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 111.401 -172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.15 -27.06 52.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.568 1.147 . . . . 0.0 113.734 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -108.76 -5.79 16.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.166 0.587 . . . . 0.0 112.331 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -73.88 170.58 15.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -151.63 142.13 22.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.914 -1.116 . . . . 0.0 108.648 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.91 146.26 40.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -148.77 138.24 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -176.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 40.52 34.0 0.21 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.644 1.978 . . . . 0.0 115.349 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 m -138.03 166.05 25.07 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.231 1.812 . . . . 0.0 109.184 -171.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -126.27 136.56 52.93 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.06 126.24 42.71 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.73 86.97 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 47.37 55.28 8.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.473 1.909 . . . . 0.0 112.195 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -100.53 170.92 8.05 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.167 0.587 . . . . 0.0 109.417 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -134.05 113.52 12.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.1 mt -124.45 110.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -169.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.92 122.8 42.04 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.929 1.291 . . . . 0.0 109.023 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t30 41.02 36.85 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.769 2.028 . . . . 0.0 113.076 -169.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.428 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.6 m -127.69 170.09 13.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.908 0.883 . . . . 0.0 112.145 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -131.91 140.4 49.04 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.835 -0.541 . . . . 0.0 111.734 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.71 96.4 3.81 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.803 1.641 . . . . 0.0 107.638 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 169.16 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 57.34 53.21 7.82 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.965 1.706 . . . . 0.0 112.353 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.371 2.4 m 52.32 49.62 20.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -174.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 m -78.68 157.0 28.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.3 131.88 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -130.21 138.68 50.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -139.04 126.39 21.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 44.19 38.34 2.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.633 1.973 . . . . 0.0 115.054 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -120.33 166.13 13.93 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.919 0.888 . . . . 0.0 111.492 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -119.04 125.91 50.46 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.703 1.601 . . . . 0.0 107.633 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -115.48 134.85 54.69 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 m -140.37 116.12 10.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 45.77 39.22 4.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.135 1.774 . . . . 0.0 113.357 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.79 170.85 11.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.589 1.556 . . . . 0.0 112.107 -169.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -138.01 139.35 39.59 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.945 -1.097 . . . . 0.0 109.802 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -136.25 129.91 47.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -174.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -133.42 127.99 34.55 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.251 1.02 . . . . 0.0 108.401 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 36.81 43.71 0.3 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.879 2.072 . . . . 0.0 114.005 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -122.39 155.26 36.44 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 121.327 -0.858 . . . . 0.0 109.344 -173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 113.74 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.254 1.3 m -129.02 134.17 48.03 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -168.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -136.06 126.36 26.55 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.862 1.265 . . . . 0.0 107.805 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 47.24 61.72 2.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.531 1.533 . . . . 0.0 112.601 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.6 m -127.1 165.3 19.79 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.846 -0.534 . . . . 0.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.05 112.17 12.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.9 mt -122.24 107.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -118.07 129.78 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.82 35.53 1.51 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.281 1.832 . . . . 0.0 114.209 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.7 m -119.78 165.16 14.91 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.646 0.778 . . . . 0.0 110.74 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -124.98 140.65 52.73 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.9 t -135.62 130.95 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.75 130.27 29.59 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp 48.49 27.69 1.5 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.003 1.721 . . . . 0.0 113.521 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -107.57 164.18 12.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.917 1.287 . . . . 0.0 110.6 -169.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 m -124.55 129.25 50.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.7 t -125.78 128.11 47.2 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.259 1.024 . . . . 0.0 108.317 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -137.0 120.16 16.69 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.73 39.81 62.34 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.228 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.0 m -135.57 169.62 17.23 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.842 -169.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -133.9 141.7 47.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -124.22 132.18 53.58 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.65 97.83 3.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.152 0.581 . . . . 0.0 109.691 -175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.9 46.89 63.75 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 118.929 -0.928 . . . . 0.0 112.339 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.96 167.54 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.67 1.235 . . . . 0.0 111.354 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -126.4 123.46 37.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -137.11 132.74 47.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -134.52 133.53 40.43 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.125 0.97 . . . . 0.0 109.319 -169.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m 51.02 31.48 6.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.329 1.452 . . . . 0.0 113.676 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -117.29 175.23 5.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.946 0.898 . . . . 0.0 111.538 -169.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -135.74 134.91 39.55 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.1 p -136.98 126.15 24.62 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.2 m -137.06 117.22 13.44 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.239 1.016 . . . . 0.0 108.769 -171.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.51 46.97 93.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 121.664 -0.648 . . . . 0.0 111.482 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -138.45 142.88 39.46 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.945 0.872 . . . . 0.0 110.152 -169.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -119.95 131.67 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -134.64 132.09 54.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -130.66 166.56 20.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.515 1.526 . . . . 0.0 110.767 -176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.84 -149.45 0.03 OUTLIER Glycine 0 CA--C 1.543 1.841 0 C-N-CA 127.858 2.647 . . . . 0.0 114.581 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.84 -15.28 29.66 Favored 'Cis proline' 0 C--N 1.351 0.677 0 CA-C-N 119.523 1.661 . . . . 0.0 115.44 10.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.1 35.35 1.77 Allowed Glycine 0 N--CA 1.467 0.724 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 -176.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 128.28 35.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 123.714 0.805 . . . . 0.0 110.878 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.7 m -139.07 123.74 18.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -136.04 133.23 50.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -137.93 137.24 37.8 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.686 0.794 . . . . 0.0 109.407 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.267 7.7 p 47.94 32.56 2.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.45 161.04 14.8 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 121.383 -0.823 . . . . 0.0 111.045 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.2 m -129.38 127.67 41.49 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 169.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.4 HG22 HG21 ' A' ' 86' ' ' THR . 5.8 mt -136.82 128.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 -170.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.2 m -137.38 134.94 36.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 44.72 44.51 7.6 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.917 1.287 . . . . 0.0 112.216 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.48 ' H ' HG22 ' A' ' 86' ' ' THR . . . 80.89 10.96 84.41 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 117.65 -1.639 . . . . 0.0 115.224 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.63 139.06 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 120.662 2.231 . . . . 0.0 110.361 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.24 155.41 23.69 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.719 0.808 . . . . 0.0 110.204 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 p -64.73 153.84 86.79 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.036 0.534 . . . . 0.0 110.015 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.58 12.15 2.68 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.531 2.82 . . . . 0.0 113.07 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.4 136.55 51.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.105 0.962 . . . . 0.0 109.548 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.34 -17.47 62.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.294 0.637 . . . . 0.0 112.223 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.39 67.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.171 0.588 . . . . 0.0 111.691 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.18 129.49 38.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.2 0.909 . . . . 0.0 108.961 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -129.33 126.41 38.88 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 171.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.7 tt -141.49 139.2 32.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 124.013 0.925 . . . . 0.0 109.325 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 m -149.09 145.6 27.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.781 1.232 . . . . 0.0 108.94 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.36 19.96 64.91 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.611 -1.105 . . . . 0.0 115.386 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.53 160.94 14.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 112.123 -174.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -138.31 131.58 30.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 169.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.46 162.92 37.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.95 0.796 . . . . 0.0 111.713 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m -148.92 163.49 37.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.119 1.768 . . . . 0.0 108.963 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.19 156.93 38.62 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.238 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.248 0.994 0 C-N-CA 124.363 1.065 . . . . 0.0 108.858 169.386 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t0 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.2 -5.85 63.5 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 118.869 -0.962 . . . . 0.0 113.284 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -63.71 150.39 44.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.392 1.596 . . . . 0.0 110.7 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 t -66.22 162.29 20.27 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.19 0.596 . . . . 0.0 109.448 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.72 82.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.006 -2.22 . . . . 0.0 105.006 170.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -103.82 129.89 51.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.604 0.761 . . . . 0.0 109.883 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -80.82 -63.73 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -155.76 13.52 0.34 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.203 1.801 . . . . 0.0 112.004 -170.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.3 m -65.91 160.44 23.38 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.383 1.073 . . . . 0.0 111.015 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -112.57 135.06 53.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.116 0.966 . . . . 0.0 109.261 173.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 120.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -70.4 168.43 16.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.199 0.523 . . . . 0.0 111.555 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.8 61.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.531 1.132 . . . . 0.0 113.759 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -111.07 1.59 17.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.523 0.729 . . . . 0.0 112.125 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.4 m -81.73 167.25 19.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -144.14 151.54 39.68 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.635 -0.666 . . . . 0.0 109.3 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -132.76 120.32 21.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 169.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -137.31 125.94 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -171.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? 38.71 38.73 0.28 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.736 2.015 . . . . 0.0 112.998 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -135.72 162.92 31.41 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.301 1.441 . . . . 0.0 108.704 -170.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -116.99 138.9 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -172.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.56 112.57 9.66 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -108.52 94.9 5.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.13 57.55 4.67 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.119 1.768 . . . . 0.0 112.495 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' H ' ' CB ' ' A' ' 9' ' ' SER . 23.8 m -102.1 173.6 6.31 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.735 1.214 . . . . 0.0 109.576 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -124.51 127.02 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -135.37 106.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.46 124.99 47.85 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.971 1.308 . . . . 0.0 108.357 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t30 39.19 30.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.304 2.241 . . . . 0.0 113.958 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.6 m -117.43 155.15 30.16 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.731 0.812 . . . . 0.0 111.418 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -124.32 118.82 27.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 -169.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -119.03 101.57 8.12 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.6 m -132.79 165.42 32.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.2 68.02 0.91 Allowed 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.375 1.87 . . . . 0.0 113.099 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.263 1.2 m 53.39 38.67 28.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.229 1.412 . . . . 0.0 114.185 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.3 m -76.89 155.08 33.12 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 167.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.2 129.77 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 105.515 -2.032 . . . . 0.0 105.515 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.05 149.92 50.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.42 0.554 . . . . 0.0 109.744 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.2 m -140.86 122.63 15.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 44.28 43.09 5.7 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.378 1.871 . . . . 0.0 112.82 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -122.85 164.41 18.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.931 0.892 . . . . 0.0 110.58 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -122.7 133.56 54.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.513 1.525 . . . . 0.0 108.289 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 48' ' ' VAL . 84.4 m-85 -128.24 135.33 49.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.974 1.31 . . . . 0.0 107.623 173.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 m -138.22 118.05 13.24 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t0 45.88 42.66 9.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.784 2.033 . . . . 0.0 113.589 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.69 166.05 15.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.074 1.35 . . . . 0.0 112.132 -169.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -128.19 142.27 51.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.791 0.836 . . . . 0.0 109.575 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG21 ' CE1' ' A' ' 43' ' ' TYR . 4.0 t -142.27 129.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -170.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -135.19 128.93 32.94 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 38.12 43.17 0.54 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.85 2.06 . . . . 0.0 114.005 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -119.94 153.36 36.04 Favored 'General case' 0 C--N 1.334 -0.108 0 O-C-N 121.717 -0.614 . . . . 0.0 109.35 -173.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.95 118.94 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -170.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -131.0 133.92 46.22 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -169.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 m -136.26 122.62 20.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 42.7 64.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.146 1.778 . . . . 0.0 112.978 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -124.65 165.39 17.99 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.122 0.569 . . . . 0.0 111.362 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -132.15 113.27 13.1 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.67 111.84 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.03 131.1 53.82 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.569 0.748 . . . . 0.0 109.335 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 mttm 44.31 37.17 1.85 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.172 1.789 . . . . 0.0 113.678 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -119.21 164.71 15.2 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.594 0.757 . . . . 0.0 110.349 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.35 135.66 53.5 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 174.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.36 128.26 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -169.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -137.5 129.38 28.82 Favored 'General case' 0 C--N 1.335 -0.06 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp 46.93 29.61 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.361 1.865 . . . . 0.0 113.592 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -108.06 162.92 13.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -123.04 131.25 53.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.956 1.302 . . . . 0.0 108.259 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.5 t -128.05 126.09 40.57 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.979 1.311 . . . . 0.0 108.034 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 m -137.31 119.13 15.17 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.12 43.62 50.43 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -135.09 170.99 15.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.039 1.335 . . . . 0.0 109.316 -169.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.14 146.64 40.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 121.127 -0.983 . . . . 0.0 108.394 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -124.43 132.86 53.51 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -139.62 99.89 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.9 66.58 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.725 -1.042 . . . . 0.0 112.567 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.69 165.76 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 118.967 1.384 . . . . 0.0 111.594 -176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -121.61 125.06 45.82 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -137.49 133.23 45.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -136.36 132.0 35.0 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.178 0.991 . . . . 0.0 109.209 -169.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m 51.12 30.94 6.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 113.584 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -116.77 174.11 6.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.754 0.821 . . . . 0.0 111.732 -169.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.3 m -133.46 138.33 46.13 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.88 1.272 . . . . 0.0 107.597 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 p -140.87 129.3 22.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.503 1.121 . . . . 0.0 108.001 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.12 117.22 10.57 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.765 1.226 . . . . 0.0 108.229 -172.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.12 99.73 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -136.19 104.6 5.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.363 1.081 . . . . 0.0 112.343 -168.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -84.46 128.09 34.39 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.2 mt -135.32 139.4 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.864 1.266 . . . . 0.0 107.772 -171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m -136.08 170.0 16.71 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.883 2.073 . . . . 0.0 110.126 -172.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.82 -147.84 0.03 OUTLIER Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.099 2.285 . . . . 0.0 114.221 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.22 -13.3 29.28 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.735 1.767 . . . . 0.0 115.141 10.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.68 44.47 0.68 Allowed Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -70.01 130.55 42.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.685 0.794 . . . . 0.0 111.254 -169.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -139.07 128.69 24.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.404 1.882 . . . . 0.0 106.166 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.4 mt -137.54 131.47 44.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -137.74 136.22 37.12 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.777 0.831 . . . . 0.0 109.539 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.27 8.0 p 47.33 32.03 2.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.705 2.002 . . . . 0.0 114.582 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 99.2 m -91.73 159.97 15.58 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.3 m -130.33 120.99 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.3 mt -132.0 131.52 61.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -169.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.0 m -135.62 130.67 34.76 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 45.56 42.37 8.0 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.027 1.331 . . . . 0.0 112.85 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 77.11 15.4 81.65 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.235 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.8 t -124.86 119.17 55.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.82 144.56 47.46 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.1 m -64.82 136.19 96.68 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.21 76.54 3.04 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.73 2.953 . . . . 0.0 110.284 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.39 36.65 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.109 1.364 . . . . 0.0 108.642 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.77 -20.03 65.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.578 0.751 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.4 -28.94 70.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.704 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.47 129.33 38.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 119.253 0.933 . . . . 0.0 109.17 175.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -129.01 125.77 38.07 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -141.01 140.27 32.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 124.125 0.97 . . . . 0.0 109.357 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 m -149.26 145.23 26.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.528 1.131 . . . . 0.0 109.138 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 60.9 20.64 57.71 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.058 1.313 . . . . 0.0 115.926 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.59 159.72 14.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.82 1.31 . . . . 0.0 112.282 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 m -133.17 149.86 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.62 162.52 40.85 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.477 1.035 . . . . 0.0 110.794 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.9 m -139.14 12.37 2.61 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.043 0.937 . . . . 0.0 112.584 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 50.58 -144.15 0.56 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.611 1.164 . . . . 0.0 110.936 -176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.248 0.974 0 C-N-CA 127.468 2.307 . . . . 0.0 106.214 169.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -83.58 128.01 34.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.32 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 p -80.59 -61.31 2.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.535 0.734 . . . . 0.0 109.488 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -156.58 8.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.01 1.724 . . . . 0.0 113.467 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 167.52 16.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.91 1.284 . . . . 0.0 111.5 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -102.73 135.68 43.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.32 118.07 22.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.5 p -69.98 168.59 15.06 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.171 0.51 . . . . 0.0 111.202 -174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.75 -26.5 45.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.725 1.21 . . . . 0.0 113.749 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -111.46 -4.3 14.89 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.352 0.661 . . . . 0.0 112.434 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.1 m -73.96 171.84 12.72 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -150.87 146.36 26.27 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.27 -0.894 . . . . 0.0 109.71 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 p -134.78 141.33 46.42 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.675 0.79 . . . . 0.0 109.603 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -147.23 128.89 6.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 pttt 34.22 47.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.485 2.314 . . . . 0.0 113.407 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -141.61 156.73 45.66 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.904 1.282 . . . . 0.0 108.937 -173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -116.51 143.71 45.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.787 0.835 . . . . 0.0 109.165 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 127.96 24.28 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 m -123.85 101.12 7.1 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.378 1.071 . . . . 0.0 109.411 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 51.52 35.75 15.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.204 1.401 . . . . 0.0 112.776 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 m -83.62 170.09 14.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.103 -0.998 . . . . 0.0 109.097 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.64 100.23 4.57 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mm -110.98 109.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -119.8 123.32 43.39 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.663 1.185 . . . . 0.0 108.941 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.88 35.49 0.23 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.788 2.035 . . . . 0.0 113.419 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -124.02 167.26 14.42 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.655 0.782 . . . . 0.0 112.831 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -127.34 124.09 37.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.387 1.075 . . . . 0.0 108.177 -169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.99 95.44 4.66 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.27 162.77 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 50.66 74.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.795 2.038 . . . . 0.0 113.275 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.2 m 50.95 37.71 18.26 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.42 1.888 . . . . 0.0 114.031 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 m -76.3 152.9 36.3 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.4 mt -138.77 128.76 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.53 149.65 50.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -143.03 121.43 12.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 41.27 38.18 0.74 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.895 2.078 . . . . 0.0 114.544 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -112.98 155.65 24.42 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.555 0.742 . . . . 0.0 110.641 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -106.6 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.503 1.521 . . . . 0.0 107.091 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -117.43 135.15 54.09 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.8 m -140.11 115.86 10.21 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 46.88 39.37 7.36 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.079 1.751 . . . . 0.0 113.271 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.06 167.23 14.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.088 1.355 . . . . 0.0 112.29 -169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -129.64 139.16 51.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 124.246 1.018 . . . . 0.0 109.131 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.46 135.6 46.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.85 133.0 41.04 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.382 1.073 . . . . 0.0 108.504 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttt 39.72 33.84 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.762 2.425 . . . . 0.0 115.626 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -110.11 161.49 15.5 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.474 -0.766 . . . . 0.0 109.318 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.88 116.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.74 -2.318 . . . . 0.0 104.74 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.268 1.5 m -130.39 133.7 46.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -168.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 m -136.3 128.39 29.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.299 1.04 . . . . 0.0 108.491 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 50.33 44.57 26.57 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.206 1.802 . . . . 0.0 113.248 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.49 167.53 10.24 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.55 -0.719 . . . . 0.0 111.165 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -132.22 111.68 11.61 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.0 mt -122.07 104.66 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 -169.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -115.74 128.75 56.1 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.6 36.97 1.93 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 113.8 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m -118.91 167.31 11.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.712 . . . . 0.0 111.187 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.87 130.06 46.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.051 1.741 . . . . 0.0 106.555 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.11 134.16 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -137.98 127.31 24.66 Favored 'General case' 0 C--O 1.23 0.052 0 C-N-CA 123.227 0.611 . . . . 0.0 109.403 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.02 43.6 1.32 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.49 1.916 . . . . 0.0 114.011 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -115.21 161.93 17.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.068 1.347 . . . . 0.0 109.381 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -122.38 95.87 4.81 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 t -91.74 127.99 37.41 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m -134.95 114.34 12.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.18 32.16 56.86 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.91 -0.939 . . . . 0.0 113.197 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -124.05 164.99 18.26 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.332 1.066 . . . . 0.0 111.907 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -120.21 136.09 54.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -119.91 131.65 55.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.63 103.0 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.59 43.67 85.01 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.734 -1.037 . . . . 0.0 112.751 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pt -124.44 166.42 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.089 1.444 . . . . 0.0 111.768 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -124.69 123.38 39.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.8 tt -139.27 134.04 40.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 118.778 0.717 . . . . 0.0 109.221 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -136.61 144.64 44.19 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 51.62 32.58 9.36 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.509 1.523 . . . . 0.0 113.332 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -120.2 174.39 6.53 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.75 0.82 . . . . 0.0 111.75 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -137.16 137.43 39.18 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.833 1.253 . . . . 0.0 107.639 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -139.84 128.6 23.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.9 m -133.24 108.94 9.08 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.681 0.792 . . . . 0.0 109.243 -169.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 40.68 96.89 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.398 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 103' ' ' GLY . 76.0 p -116.03 167.26 11.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.055 1.428 . . . . 0.0 111.464 -172.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.6 m -137.12 123.56 20.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.3 mt -130.4 126.14 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -168.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 124.628 1.171 . . . . 0.0 110.659 -176.068 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.2 t . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.7 m -135.54 129.05 32.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -137.66 135.63 46.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 m -136.87 135.68 38.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.502 0.721 . . . . 0.0 109.196 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.7 p 48.84 39.31 13.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.8 m -105.4 160.35 15.21 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.169 0.988 . . . . 0.0 111.285 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 84.7 m -126.85 128.07 45.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.16 132.4 46.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -133.88 126.29 30.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 39.38 48.14 1.64 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.685 1.594 . . . . 0.0 113.601 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 86' ' ' THR . . . 89.05 -2.83 84.28 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.514 -1.159 . . . . 0.0 114.136 173.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -111.94 116.75 53.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 119.382 1.591 . . . . 0.0 107.533 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.301 0 C-N-CA 123.353 0.661 . . . . 0.0 109.962 173.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.696 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.17 118.34 16.0 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -111.78 142.54 44.01 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.8 138.83 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -142.52 144.75 33.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.614 1.166 . . . . 0.0 108.458 170.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.1 51.24 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.813 1.197 . . . . 0.0 114.682 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.8 t -119.07 162.16 19.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.906 1.353 . . . . 0.0 112.442 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.6 m -131.11 140.97 50.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 126.355 1.862 . . . . 0.0 107.303 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.1 mt -118.44 150.64 39.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.631 1.172 . . . . 0.0 108.164 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 p -154.2 160.34 41.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.147 0.979 . . . . 0.0 109.254 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.72 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 171.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.348 169.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -132.92 136.03 45.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.251 0.478 . . . . 0.0 110.317 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 m -126.06 96.94 4.9 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.328 1.851 . . . . 0.0 106.356 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t30 55.87 16.37 2.06 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.14 2.176 . . . . 0.0 116.254 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -74.21 159.6 32.29 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.41 -1.431 . . . . 0.0 110.321 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -111.92 134.25 53.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.88 115.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 p -70.77 170.62 12.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.498 0.666 . . . . 0.0 111.884 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -28.69 66.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.434 1.093 . . . . 0.0 113.804 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -111.72 31.17 6.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.036 0.934 . . . . 0.0 110.977 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -128.11 155.72 43.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.186 1.394 . . . . 0.0 109.096 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -148.54 153.67 38.72 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.543 0.737 . . . . 0.0 109.362 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -125.39 49.01 1.95 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.43 1.492 . . . . 0.0 109.692 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.19 112.51 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.966 1.706 . . . . 0.0 110.776 -169.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 59.99 -22.02 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.805 2.842 . . . . 0.0 114.838 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 m -60.54 155.34 18.79 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 125.398 1.479 . . . . 0.0 112.622 -174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.8 m -94.45 145.07 25.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.06 124.67 16.83 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 m -124.19 111.99 16.53 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.76 43.28 2.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.911 2.485 . . . . 0.0 113.471 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 170.92 10.69 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.481 0.713 . . . . 0.0 109.405 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -134.17 116.33 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.4 mt -124.3 108.34 20.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -169.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.01 115.2 27.24 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.799 1.639 . . . . 0.0 108.591 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t30 44.15 34.52 1.0 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.969 1.708 . . . . 0.0 113.606 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -126.05 156.35 40.08 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.225 1.01 . . . . 0.0 111.217 -169.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -129.76 134.56 47.67 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.67 93.25 3.29 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 -170.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.88 176.27 3.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -167.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.4 t0 56.99 49.54 13.72 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.167 1.787 . . . . 0.0 111.594 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 57.24 44.8 21.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.673 1.189 . . . . 0.0 112.793 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -71.64 176.81 4.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 168.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.56 136.45 35.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.451 -0.781 . . . . 0.0 109.046 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.24 144.06 47.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -139.93 104.3 4.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 51.84 49.57 20.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.712 1.605 . . . . 0.0 111.439 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.4 m -124.75 154.4 40.95 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.945 0.898 . . . . 0.0 111.005 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -107.54 141.13 39.46 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.036 1.734 . . . . 0.0 108.326 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -138.39 129.66 27.32 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.43 114.52 8.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.6 t70 46.04 38.18 4.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.618 1.967 . . . . 0.0 113.939 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.59 16.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.347 1.459 . . . . 0.0 111.709 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -128.58 140.67 51.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 123.916 0.886 . . . . 0.0 109.018 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.0 136.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -137.7 129.64 28.77 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt 37.22 48.34 0.77 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.213 2.205 . . . . 0.0 113.239 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.5 m -119.11 168.28 11.0 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.363 -0.835 . . . . 0.0 109.351 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.5 130.55 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -134.71 156.51 48.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.598 1.09 . . . . 0.0 113.229 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.7 m -148.46 113.01 5.33 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 51.17 74.94 0.21 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.0 1.72 . . . . 0.0 112.012 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.7 t -124.05 158.66 31.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.15 0.98 . . . . 0.0 109.292 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -135.47 119.62 17.67 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.14 104.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.403 -1.702 . . . . 0.0 106.403 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.21 126.87 54.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 52.09 19.99 1.18 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.168 1.787 . . . . 0.0 114.555 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.2 m -106.44 166.2 10.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.588 0.755 . . . . 0.0 111.074 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -128.42 120.81 27.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -127.5 135.51 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.845 0.858 . . . . 0.0 108.806 -168.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -140.31 127.28 20.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -174.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 mp 48.28 28.65 1.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.592 1.557 . . . . 0.0 113.952 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -107.96 160.56 15.68 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.325 1.05 . . . . 0.0 110.269 -169.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.2 m -123.88 128.71 49.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.685 1.194 . . . . 0.0 108.197 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.2 t -124.11 121.48 35.26 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.269 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.2 m -131.64 112.16 12.33 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.15 34.28 58.49 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.447 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.2 m -128.78 174.55 9.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.313 1.056 . . . . 0.0 111.686 -169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -148.33 138.71 22.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.478 -0.764 . . . . 0.0 109.938 -169.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -125.37 139.05 54.01 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.835 1.254 . . . . 0.0 107.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.22 115.07 11.39 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.054 0.941 . . . . 0.0 108.956 173.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.57 44.73 95.36 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.579 1.085 . . . . 0.0 113.705 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 159.87 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 118.933 1.367 . . . . 0.0 111.475 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.56 124.9 53.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.14 132.19 42.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 119.603 1.092 . . . . 0.0 108.914 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -132.76 132.79 42.65 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -169.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 50.26 32.06 5.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.789 1.235 . . . . 0.0 113.542 169.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -116.08 172.86 6.9 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.755 0.822 . . . . 0.0 111.443 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 m -134.92 134.05 40.23 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 p -134.46 128.87 34.31 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 m -132.17 124.62 29.42 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 108.995 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.31 37.55 48.01 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.104 -1.387 . . . . 0.0 113.676 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -135.75 155.22 50.72 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.067 1.933 . . . . 0.0 111.039 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -116.21 144.34 44.33 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mt -138.0 129.46 38.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.235 0.305 0 C-N-CA 124.167 0.987 . . . . 0.0 109.848 -174.318 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -139.1 130.27 26.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 mt -138.16 139.46 42.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 125.043 1.337 . . . . 0.0 107.432 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.0 m -141.13 143.92 34.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.0 p 46.52 34.92 2.59 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.868 2.067 . . . . 0.0 114.243 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.7 t -108.88 163.27 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.962 0.905 . . . . 0.0 110.704 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 m -126.07 133.54 51.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.88 130.99 41.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 m -133.71 125.04 27.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 40.99 51.15 3.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.485 1.514 . . . . 0.0 113.454 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.77 4.2 87.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.449 -1.195 . . . . 0.0 113.74 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.3 t -123.97 117.79 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 119.401 1.6 . . . . 0.0 108.025 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.358 0 C-N-CA 123.575 0.75 . . . . 0.0 110.118 172.372 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.57 126.23 29.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 118.929 0.786 . . . . 0.0 109.133 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 136.0 54.43 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 169.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.55 135.6 26.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 m -145.48 132.13 19.92 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.842 1.257 . . . . 0.0 108.768 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.88 25.57 73.15 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 119.04 -0.866 . . . . 0.0 114.086 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.1 m -110.37 162.56 14.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.599 1.199 . . . . 0.0 112.084 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 m -129.15 145.68 51.25 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.442 1.897 . . . . 0.0 106.511 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.12 146.93 50.95 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.624 1.17 . . . . 0.0 108.836 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -147.39 148.55 31.44 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 108.72 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.42 140.9 55.81 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 60.3 tpp . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.5 116.07 17.78 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -79.07 -57.85 3.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.804 0.841 . . . . 0.0 110.1 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -162.04 34.28 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.07 1.348 . . . . 0.0 110.639 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 m -103.79 163.99 11.98 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.71 1.604 . . . . 0.0 110.436 -170.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.24 132.16 55.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -128.33 122.58 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -71.13 166.65 21.0 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.965 0.802 . . . . 0.0 110.923 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -26.34 57.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 0.0 113.729 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.47 -2.49 15.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.623 0.769 . . . . 0.0 112.275 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -72.17 172.18 10.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 109.965 169.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -135.91 143.76 45.15 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.953 1.301 . . . . 0.0 107.792 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.21 110.98 6.5 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 104.414 -2.439 . . . . 0.0 104.414 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.97 124.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt 60.37 -22.41 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.468 2.707 . . . . 0.0 115.559 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -60.97 174.69 0.59 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.96 1.704 . . . . 0.0 113.233 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -118.77 144.36 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.29 128.93 22.96 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.67 88.51 2.9 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -172.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 46.67 51.77 11.85 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.572 1.949 . . . . 0.0 112.708 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.92 171.56 9.21 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -134.65 110.38 9.25 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -116.34 109.11 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -170.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -119.43 119.95 35.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.854 1.262 . . . . 0.0 108.36 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t30 39.53 38.01 0.35 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.695 1.998 . . . . 0.0 113.06 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -125.07 163.58 22.08 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 123.908 0.883 . . . . 0.0 111.855 -169.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -125.83 93.27 3.79 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.058 0.943 . . . . 0.0 108.504 -170.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.4 tp -87.64 87.78 7.48 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.87 175.11 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -168.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.8 66.61 0.79 Allowed 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.924 2.489 . . . . 0.0 112.657 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.59 38.79 30.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 170.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -73.21 172.79 10.47 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.5 tt -142.1 145.03 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 O-C-N 121.028 -1.045 . . . . 0.0 110.139 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.2 p -136.42 152.43 50.59 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.928 0.491 . . . . 0.0 109.854 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -141.58 106.31 4.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.3 ttp85 46.38 39.12 6.03 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.536 1.535 . . . . 0.0 113.138 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -102.74 160.0 14.98 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.127 0.571 . . . . 0.0 109.865 172.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -114.83 132.57 56.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 125.694 1.597 . . . . 0.0 107.297 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 48' ' ' VAL . 64.3 m-85 -123.48 132.01 53.8 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -137.06 116.06 12.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 46.54 42.4 11.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.561 1.944 . . . . 0.0 112.654 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.96 169.88 12.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.64 1.576 . . . . 0.0 112.398 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -133.03 143.98 49.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.23 1.012 . . . . 0.0 109.317 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 43' ' ' TYR . 1.8 t -141.2 131.64 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.854 1.262 . . . . 0.0 108.004 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -139.24 117.27 11.74 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 34.87 52.72 0.61 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.466 1.906 . . . . 0.0 113.093 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -123.0 164.76 17.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.89 134.35 66.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t -145.17 146.25 31.68 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.306 -0.957 . . . . 0.0 112.803 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.4 m -136.86 128.81 29.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.759 1.223 . . . . 0.0 107.732 169.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.4 t0 46.35 59.2 3.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.491 1.916 . . . . 0.0 112.823 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.34 161.09 28.63 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.61 1.164 . . . . 0.0 108.603 -171.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -128.93 129.61 45.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.77 112.67 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.91 127.51 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.941 0.896 . . . . 0.0 108.958 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 43.54 43.94 4.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.5 1.52 . . . . 0.0 113.269 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -127.24 165.77 19.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.749 0.82 . . . . 0.0 110.256 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -125.7 136.76 53.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.74 130.22 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -168.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -138.95 131.9 29.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.206 1.003 . . . . 0.0 108.629 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt 47.12 25.53 0.53 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.009 1.324 . . . . 0.0 114.093 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.161 0.984 . . . . 0.0 110.778 -169.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 128.5 46.11 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.739 1.216 . . . . 0.0 108.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 71' ' ' SER . 42.3 t -120.36 134.82 55.2 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.999 0.92 . . . . 0.0 109.609 176.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 m -134.79 121.92 21.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.24 35.3 64.74 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.832 -0.982 . . . . 0.0 113.797 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 50.7 m -131.49 174.52 10.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.555 1.177 . . . . 0.0 111.321 -170.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.36 130.63 35.26 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -169.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -121.64 132.49 54.69 Favored 'General case' 0 N--CA 1.46 0.059 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.77 124.93 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 170.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.26 39.54 97.35 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.852 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 161.96 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.843 1.321 . . . . 0.0 111.658 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -124.36 117.07 23.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.053 -2.943 . . . . 0.0 103.053 169.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -132.12 131.22 61.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -172.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -133.26 130.89 39.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.746 0.818 . . . . 0.0 108.915 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m 52.41 32.53 11.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.731 1.213 . . . . 0.0 113.388 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -119.67 174.49 6.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.947 0.899 . . . . 0.0 111.36 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -135.79 140.02 43.95 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -133.37 140.75 47.55 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.0 m -144.92 125.94 14.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.37 47.21 56.88 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-O 119.051 -0.861 . . . . 0.0 112.653 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 t -144.49 166.02 26.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.913 1.857 . . . . 0.0 110.166 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.1 m -129.72 133.35 46.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.8 mm -127.53 136.11 61.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 105.709 -1.959 . . . . 0.0 105.709 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 C--O 1.237 0.443 0 C-N-CA 124.422 1.089 . . . . 0.0 110.34 -171.28 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.9 m -139.99 127.55 21.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.654 1.582 . . . . 0.0 107.334 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.9 mt -138.25 134.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.411 1.485 . . . . 0.0 107.233 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.5 m -139.02 138.32 37.1 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.771 0.828 . . . . 0.0 109.755 171.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.269 6.1 p 46.93 36.56 4.1 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.621 1.968 . . . . 0.0 114.5 174.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 89.7 m -100.52 162.74 12.73 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.161 0.985 . . . . 0.0 110.937 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.5 m -129.5 131.35 46.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 168.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -135.15 125.56 44.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.7 m -134.74 127.35 30.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 43.95 46.62 6.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.407 1.083 . . . . 0.0 112.136 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.84 81.02 Favored Glycine 0 CA--C 1.529 0.969 0 CA-C-O 118.797 -1.002 . . . . 0.0 113.883 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -123.91 114.69 42.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 170.457 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 118.975 -0.536 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -74.34 130.68 40.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 119.257 0.935 . . . . 0.0 108.942 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.23 130.57 44.78 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -142.51 146.43 22.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 124.401 1.081 . . . . 0.0 108.857 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.8 m -157.69 147.74 20.47 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.497 1.119 . . . . 0.0 109.341 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.27 70.05 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.039 -0.867 . . . . 0.0 114.288 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.8 m -110.2 158.55 18.24 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.723 1.262 . . . . 0.0 111.785 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.9 m -132.9 140.46 47.89 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 104.699 -2.334 . . . . 0.0 104.699 169.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -147.27 163.78 35.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.935 0.789 . . . . 0.0 112.002 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -150.38 161.14 43.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.585 1.554 . . . . 0.0 109.774 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.04 143.74 35.33 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 C--O 1.248 1.002 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 169.153 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -73.56 112.69 9.89 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -82.07 -56.51 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -163.0 53.05 0.18 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.854 1.662 . . . . 0.0 107.652 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -119.97 166.31 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.711 1.604 . . . . 0.0 111.89 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -126.95 137.85 53.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.984 1.314 . . . . 0.0 108.139 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -135.76 116.4 18.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -69.07 164.34 22.68 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.258 0.552 . . . . 0.0 111.058 -177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.38 59.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -112.12 -1.67 15.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.454 0.702 . . . . 0.0 112.222 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.9 m -73.29 172.78 10.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.366 0.666 . . . . 0.0 110.286 169.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -140.11 147.21 39.89 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -134.83 128.94 33.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -141.4 125.69 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt 34.19 50.79 0.39 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.48 2.312 . . . . 0.0 113.724 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -134.38 171.34 14.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.003 1.321 . . . . 0.0 108.576 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -124.58 136.5 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 107.48 8.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -99.56 75.68 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.19 78.1 0.24 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 125.342 1.457 . . . . 0.0 110.73 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.6 m -123.08 167.48 13.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.683 0.793 . . . . 0.0 109.056 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -132.03 135.46 46.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG23 ' HB2' ' A' ' 30' ' ' SER . 32.9 mt -137.13 107.41 5.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -169.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.45 114.07 26.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 126.153 1.781 . . . . 0.0 108.17 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t30 40.59 40.21 0.87 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.084 1.754 . . . . 0.0 113.664 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.452 ' HB2' HG23 ' A' ' 27' ' ' ILE . 71.7 m -125.67 167.74 14.7 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.204 1.001 . . . . 0.0 111.646 -169.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -129.81 115.81 17.81 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 tp -116.45 97.93 6.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -127.33 165.49 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 37.5 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 128.227 2.611 . . . . 0.0 114.638 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m 51.22 30.55 5.88 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.498 1.519 . . . . 0.0 113.195 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -74.24 144.97 44.45 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.9 120.17 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.06 -2.57 . . . . 0.0 104.06 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -128.03 155.05 44.94 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -144.78 132.46 21.07 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 50.81 25.31 2.08 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.772 1.629 . . . . 0.0 113.807 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -111.22 162.48 14.92 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.151 -0.968 . . . . 0.0 112.846 -169.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.99 137.81 54.24 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.832 1.653 . . . . 0.0 107.739 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.26 127.55 33.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 m -134.35 120.42 19.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 43.57 41.39 3.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.594 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.14 164.08 18.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.082 1.353 . . . . 0.0 112.164 -169.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -125.05 141.51 52.08 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.516 1.126 . . . . 0.0 108.421 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.56 133.36 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -139.4 135.88 34.13 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.508 1.123 . . . . 0.0 108.272 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 39.02 36.8 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.54 1.936 . . . . 0.0 115.026 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 p -68.13 162.69 24.19 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.944 -1.098 . . . . 0.0 111.843 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.41 84.06 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 102.436 -3.172 . . . . 0.0 102.436 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.269 1.3 m -118.47 138.2 52.65 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 123.61 0.764 . . . . 0.0 109.805 -167.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -136.65 126.24 25.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.1 t70 49.56 50.05 18.89 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.446 1.898 . . . . 0.0 113.285 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.83 163.6 15.93 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 121.576 -0.702 . . . . 0.0 111.566 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -131.28 106.3 8.21 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -120.12 118.27 56.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -168.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -126.93 132.42 50.87 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.745 0.818 . . . . 0.0 109.572 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt 48.03 31.08 2.28 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.933 1.693 . . . . 0.0 113.685 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -116.37 168.63 9.97 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.428 0.691 . . . . 0.0 111.659 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.58 126.44 40.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.45 129.64 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -169.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.52 123.7 21.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.44 31.32 2.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.218 1.807 . . . . 0.0 113.343 174.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -109.72 152.31 25.8 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.403 1.081 . . . . 0.0 110.073 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.9 m -110.73 136.49 49.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.317 1.447 . . . . 0.0 107.907 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 33.2 t -136.57 133.25 36.19 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 m -137.65 115.57 11.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.38 38.71 63.06 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.779 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -130.99 169.75 15.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.241 1.021 . . . . 0.0 111.623 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.59 140.14 51.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -119.9 140.36 50.99 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 170.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -138.83 117.38 12.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 170.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 44.15 98.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.678 -1.068 . . . . 0.0 113.253 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.93 163.58 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 118.904 1.352 . . . . 0.0 111.089 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -129.37 113.57 15.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.843 -2.651 . . . . 0.0 103.843 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -133.25 134.93 57.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.634 0.652 . . . . 0.0 109.892 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -132.77 134.57 44.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.214 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 49.22 33.42 5.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.895 1.278 . . . . 0.0 113.775 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -116.93 175.49 5.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.734 0.814 . . . . 0.0 111.587 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -134.19 141.55 47.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.535 1.134 . . . . 0.0 108.405 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -139.0 143.21 38.38 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.037 1.335 . . . . 0.0 107.61 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.3 m -153.16 120.06 5.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.228 1.011 . . . . 0.0 109.047 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.49 41.43 88.54 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.654 0.645 . . . . 0.0 111.595 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.44 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -122.12 162.67 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.958 1.303 . . . . 0.0 111.906 -169.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 m -136.61 123.53 21.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 168.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -122.81 127.23 74.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.33 -0.258 0 C-N-CA 123.7 0.8 . . . . 0.0 109.9 -173.59 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -137.34 126.12 23.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.49 1.516 . . . . 0.0 107.257 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.0 mt -137.82 136.02 45.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -136.38 143.53 44.08 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p 43.82 43.14 4.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.471 1.908 . . . . 0.0 113.794 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.5 t -117.49 165.52 13.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.148 0.979 . . . . 0.0 110.393 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.2 m -129.24 131.21 47.0 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.1 mt -133.94 142.66 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.0 m -147.89 136.45 21.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 37.5 50.06 1.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.756 1.623 . . . . 0.0 113.419 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 78.78 6.03 88.51 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.315 -1.269 . . . . 0.0 114.546 173.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.88 122.99 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.565 1.682 . . . . 0.0 107.573 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.242 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 118.723 -0.656 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.81 128.73 36.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.952 0.797 . . . . 0.0 108.904 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -132.97 135.12 45.31 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 tt -145.18 147.7 18.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 124.561 1.144 . . . . 0.0 109.099 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.2 m -158.61 146.88 18.38 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.751 1.221 . . . . 0.0 109.464 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.53 72.19 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.156 -0.802 . . . . 0.0 114.076 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.08 160.48 18.12 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.519 1.16 . . . . 0.0 112.035 -171.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 m -130.52 142.12 50.48 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.848 2.059 . . . . 0.0 105.797 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.5 mt -128.74 139.17 52.34 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.7 m -143.13 153.38 42.83 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.589 1.156 . . . . 0.0 108.803 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.08 143.74 43.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.868 -1.063 . . . . 0.0 108.583 171.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.86 98.42 2.98 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -66.42 -55.5 15.47 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -170.25 81.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.031 1.732 . . . . 0.0 107.937 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -145.36 168.59 20.13 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.371 1.468 . . . . 0.0 110.234 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -121.42 134.41 55.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.043 1.337 . . . . 0.0 108.2 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mt -130.74 119.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -69.96 164.89 22.9 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.293 0.568 . . . . 0.0 111.367 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -26.98 58.36 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.968 1.307 . . . . 0.0 114.304 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -113.8 1.18 14.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.59 0.756 . . . . 0.0 112.207 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -74.37 174.8 8.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.089 0.556 . . . . 0.0 109.787 169.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -142.51 144.02 32.79 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.2 t -138.95 106.66 5.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.01 131.63 71.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 118.899 0.772 . . . . 0.0 109.347 -169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt 36.04 43.37 0.2 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.477 2.311 . . . . 0.0 114.262 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 m -135.31 173.76 11.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.399 1.48 . . . . 0.0 108.33 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 m -113.1 144.37 42.75 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.73 117.78 10.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.658 0.663 . . . . 0.0 109.864 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.1 m -128.61 121.91 29.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 110.197 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.88 54.87 9.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.375 1.87 . . . . 0.0 111.153 -175.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.3 m -126.76 163.03 24.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.317 0.579 . . . . 0.0 111.745 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -137.7 118.34 13.98 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 30' ' ' SER . 4.5 mp -123.37 105.75 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -170.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.77 116.86 31.4 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 126.125 1.77 . . . . 0.0 108.467 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.82 35.6 0.23 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.309 1.844 . . . . 0.0 114.299 -171.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 27' ' ' ILE . 72.2 m -119.72 161.21 21.11 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.293 1.037 . . . . 0.0 111.697 -169.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -126.61 100.29 6.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.469 1.107 . . . . 0.0 108.368 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.54 121.85 37.66 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.12 160.7 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 118.883 0.765 . . . . 0.0 112.387 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.43 77.82 0.1 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 127.75 2.42 . . . . 0.0 114.556 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.57 36.96 18.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.895 1.678 . . . . 0.0 113.742 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -79.06 171.36 15.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 tt -141.19 131.81 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.3 t -107.31 131.01 54.69 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.49 120.06 16.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 52.28 31.22 8.99 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.792 1.237 . . . . 0.0 112.527 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -120.81 166.21 14.08 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.796 0.807 . . . . 0.0 112.048 -169.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -126.7 132.07 51.23 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.911 1.285 . . . . 0.0 108.377 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -122.41 134.71 54.61 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 m -139.27 117.6 11.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 108.191 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.13 41.32 2.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.75 2.02 . . . . 0.0 113.248 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 168.26 14.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.045 1.338 . . . . 0.0 111.828 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -132.47 139.06 47.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.49 0.716 . . . . 0.0 109.8 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -135.96 126.59 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -135.63 124.23 23.66 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -169.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 34.92 48.52 0.33 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.716 2.007 . . . . 0.0 113.141 -172.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -125.57 158.86 33.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.9 t -117.63 133.01 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 -170.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 147.42 52.15 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.215 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -145.73 114.1 6.68 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.15 71.9 0.4 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.231 1.413 . . . . 0.0 111.769 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.26 154.87 44.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 109.035 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -135.78 112.39 10.05 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.2 mt -121.18 110.92 29.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -169.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -117.97 127.9 54.28 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 50.16 35.78 10.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.688 1.595 . . . . 0.0 113.342 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -123.63 164.95 18.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.627 0.771 . . . . 0.0 111.129 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -126.55 133.13 51.18 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.82 129.63 51.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 108.529 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -135.46 131.61 36.37 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.297 0.639 . . . . 0.0 109.624 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp 45.59 37.28 3.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.384 1.474 . . . . 0.0 112.85 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -118.82 159.73 23.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.45 1.1 . . . . 0.0 110.466 -169.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -126.47 106.65 9.61 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.708 1.203 . . . . 0.0 108.467 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.7 123.06 40.28 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.19 0.996 . . . . 0.0 108.808 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 m -132.63 116.17 16.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.03 42.31 39.11 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 m -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.529 1.132 . . . . 0.0 109.274 -169.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -138.37 145.33 40.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -128.17 124.28 36.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -136.51 99.37 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.24 47.27 65.0 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 118.815 -0.992 . . . . 0.0 112.246 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.09 166.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.684 1.242 . . . . 0.0 111.804 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -123.8 127.19 47.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.7 tt -141.39 133.68 29.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 118.617 0.644 . . . . 0.0 109.55 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -134.33 148.25 50.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m 52.62 29.94 7.96 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.114 1.366 . . . . 0.0 113.316 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -122.16 172.83 7.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.896 0.771 . . . . 0.0 112.653 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -137.05 138.04 40.01 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.8 p -137.3 129.85 29.94 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -135.44 112.59 10.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.517 1.127 . . . . 0.0 108.714 -171.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.97 95.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.491 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.7 OUTLIER -139.55 105.98 5.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.28 1.04 . . . . 0.0 112.775 -168.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -82.53 133.02 35.19 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -136.72 135.24 48.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 125.432 1.493 . . . . 0.0 110.535 -174.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 120.893 0.377 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -137.59 125.89 23.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.915 2.086 . . . . 0.0 105.872 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.25 139.51 49.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 m -146.47 142.61 28.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.687 -0.633 . . . . 0.0 110.601 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 p 47.28 38.09 6.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.85 1.66 . . . . 0.0 113.512 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.4 t -119.42 158.79 25.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.128 0.971 . . . . 0.0 110.451 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -123.95 135.87 53.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -137.49 133.24 45.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -175.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.3 m -134.67 129.57 35.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 45.16 39.75 4.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.548 1.539 . . . . 0.0 114.02 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 85.63 9.17 79.05 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.592 -1.115 . . . . 0.0 114.066 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.18 118.81 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.245 1.522 . . . . 0.0 107.442 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.33 0 C-N-CA 123.588 0.755 . . . . 0.0 110.201 174.754 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.07 132.95 48.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.937 0.79 . . . . 0.0 109.291 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -131.82 133.97 45.27 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 169.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.59 131.28 24.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -146.47 139.43 25.5 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.429 1.091 . . . . 0.0 108.334 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.66 17.06 64.28 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 118.837 -0.98 . . . . 0.0 114.857 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.2 m -101.25 162.76 12.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.58 1.19 . . . . 0.0 112.209 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -133.49 143.23 48.67 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.73 152.94 49.53 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 m -135.23 12.79 3.55 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.917 0.887 . . . . 0.0 112.145 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.89 -144.64 0.42 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.102 1.361 . . . . 0.0 111.05 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 C--O 1.249 1.039 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 171.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -69.32 113.17 6.4 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.9 m -85.04 -48.76 8.9 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.428 0.691 . . . . 0.0 109.833 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -162.31 28.2 0.11 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.647 0.779 . . . . 0.0 111.86 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -100.28 166.45 10.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.862 1.265 . . . . 0.0 111.096 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -113.46 120.9 42.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.885 0.874 . . . . 0.0 108.856 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mm -118.29 117.73 55.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.257 -2.497 . . . . 0.0 104.257 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -69.75 168.76 14.33 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.44 0.638 . . . . 0.0 112.078 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.99 65.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.459 1.104 . . . . 0.0 113.746 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -111.74 26.7 10.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.05 0.94 . . . . 0.0 111.142 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -121.99 160.15 25.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.358 1.463 . . . . 0.0 109.398 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -143.93 153.2 42.04 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.769 0.828 . . . . 0.0 109.335 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 p -133.03 24.88 4.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.437 1.895 . . . . 0.0 111.321 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.07 129.35 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.64 1.176 . . . . 0.0 111.866 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt 55.15 6.56 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.137 2.175 . . . . 0.0 114.093 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -112.43 154.08 26.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.543 1.065 . . . . 0.0 111.865 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -94.6 140.49 29.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.92 116.95 17.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.23 91.96 3.83 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -170.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 45.37 56.29 5.78 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.126 2.17 . . . . 0.0 113.737 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.32 172.35 6.85 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.913 1.285 . . . . 0.0 109.927 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.38 120.32 25.34 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 169.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 30' ' ' SER . 9.5 mt -120.33 106.47 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -173.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.9 114.23 27.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.888 1.675 . . . . 0.0 108.84 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t30 42.64 37.67 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.798 1.639 . . . . 0.0 112.759 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -127.29 160.68 30.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.424 1.09 . . . . 0.0 111.169 -169.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -125.47 136.46 53.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -132.56 109.05 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.4 164.12 24.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -169.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t0 53.31 65.27 1.56 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 126.898 2.079 . . . . 0.0 112.441 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.265 1.3 m 48.44 46.27 20.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.265 1.579 . . . . 0.0 115.265 -175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 m -76.48 162.82 27.51 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 166.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.4 100.45 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.7 t -86.01 140.63 30.12 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.95 117.39 13.72 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 173.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 42.36 35.38 0.62 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.586 2.354 . . . . 0.0 114.649 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.6 m -109.16 164.5 12.38 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.887 0.875 . . . . 0.0 110.589 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -111.89 123.81 51.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.658 1.583 . . . . 0.0 106.913 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -114.92 136.07 53.52 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -141.6 116.99 10.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 44.65 40.07 3.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.674 1.99 . . . . 0.0 113.846 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.49 10.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.232 1.413 . . . . 0.0 112.363 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -133.83 140.15 46.71 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.988 0.915 . . . . 0.0 109.826 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 124.6 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.883 1.673 . . . . 0.0 106.616 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.32 126.02 27.18 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.416 0.686 . . . . 0.0 109.428 -172.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 33.41 50.11 0.26 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.376 1.871 . . . . 0.0 112.634 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.21 158.36 39.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.8 t -116.74 140.18 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 p -131.07 145.3 51.96 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 m -136.89 116.69 13.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.91 50.91 17.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.389 1.476 . . . . 0.0 112.456 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.0 m -110.18 164.56 12.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.327 0.651 . . . . 0.0 110.213 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -130.81 112.47 13.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.77 109.38 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 -169.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -120.86 125.81 48.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -169.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 50.47 26.98 2.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.922 1.289 . . . . 0.0 113.806 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -116.16 166.88 11.52 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.744 0.817 . . . . 0.0 111.167 -169.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -130.04 131.42 45.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.19 129.67 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -169.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.68 135.75 35.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.267 0.627 . . . . 0.0 109.983 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt 47.12 28.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.386 1.074 . . . . 0.0 113.881 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -114.06 159.83 19.57 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.903 -1.123 . . . . 0.0 111.316 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -123.47 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.2 t -82.9 129.73 35.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 119.94 18.3 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.83 47.13 13.97 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.91 -0.939 . . . . 0.0 112.636 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -132.48 159.03 40.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.475 1.137 . . . . 0.0 110.522 -169.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -117.88 122.78 44.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -113.65 128.28 56.37 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -137.1 110.01 7.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.829 1.195 . . . . 0.0 109.562 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.43 38.95 97.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 118.603 -1.109 . . . . 0.0 113.031 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pp -123.59 166.68 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.21 1.505 . . . . 0.0 111.33 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -126.74 129.15 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.7 tt -140.74 133.85 32.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -136.21 140.32 43.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.76 0.424 . . . . 0.0 110.958 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 52.23 33.44 12.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.611 1.564 . . . . 0.0 113.442 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -122.88 175.53 6.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.913 0.885 . . . . 0.0 112.112 -169.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -136.84 143.23 42.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.5 p -133.88 153.73 51.55 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.0 m -156.63 109.75 2.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.137 -0.977 . . . . 0.0 109.263 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 49.74 60.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.495 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -138.05 129.15 27.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.415 0.608 . . . . 0.0 111.578 -168.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -95.9 134.44 38.9 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -139.37 121.15 16.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.902 0.881 . . . . 0.0 110.569 -173.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 76' ' ' ILE . 4.6 t . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.4 m -134.78 131.85 38.01 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.674 1.589 . . . . 0.0 107.088 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 79.4 mt -134.5 132.46 54.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 m -134.81 132.22 38.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.091 0.956 . . . . 0.0 108.858 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.254 2.8 p 48.88 36.92 9.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.173 1.389 . . . . 0.0 114.063 170.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.22 162.28 13.04 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.393 1.077 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 91.2 m -127.34 128.17 45.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 168.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 86' ' ' THR . 5.6 mt -133.94 136.94 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -171.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -150.46 134.87 17.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 42.63 46.71 4.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 112.455 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.495 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.96 4.21 88.7 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.075 -1.403 . . . . 0.0 114.649 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.2 t -126.58 127.93 70.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 119.969 1.885 . . . . 0.0 108.38 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 0 C-N-CA 123.791 0.836 . . . . 0.0 109.853 173.228 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.3 126.09 30.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.417 0.553 . . . . 0.0 109.758 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -125.22 136.8 53.92 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 tt -141.46 149.58 20.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.706 1.202 . . . . 0.0 108.363 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -155.12 152.34 29.37 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.194 0.998 . . . . 0.0 109.68 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.0 35.66 54.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.37 1.462 . . . . 0.0 113.382 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.34 161.32 24.92 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.171 0.986 . . . . 0.0 113.108 -169.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 m -131.26 140.63 49.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.923 2.089 . . . . 0.0 106.334 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.08 142.71 50.81 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m -141.39 150.96 43.05 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.794 0.838 . . . . 0.0 108.957 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.78 168.94 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.601 0.715 . . . . 0.0 111.046 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 51.8 mtt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.264 1.826 . . . . 0.0 106.197 169.719 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--O 1.233 0.193 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -135.96 138.98 42.86 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.064 0.545 . . . . 0.0 110.258 -174.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.3 m -127.98 94.69 3.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 55.17 17.15 1.87 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.211 2.204 . . . . 0.0 116.456 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -75.63 157.85 33.19 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.493 -1.379 . . . . 0.0 110.632 171.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.0 138.17 31.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 169.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -135.76 109.75 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.24 167.64 17.51 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.891 0.377 . . . . 0.0 110.931 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -27.69 51.14 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -170.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -115.01 -1.85 12.97 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.6 0.76 . . . . 0.0 112.151 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -73.96 160.36 31.46 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -147.17 141.68 26.5 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -172.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.98 145.25 39.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.16 122.51 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 58.74 -20.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.613 2.765 . . . . 0.0 115.594 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -60.09 162.85 5.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.922 1.689 . . . . 0.0 113.362 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 126.46 44.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.61 128.18 50.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -121.86 105.13 10.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.267 0.627 . . . . 0.0 109.672 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.72 44.38 5.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.009 2.124 . . . . 0.0 112.426 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.8 m -90.07 170.84 9.99 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.791 0.836 . . . . 0.0 108.792 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.32 109.38 9.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 30' ' ' SER . 34.1 mt -114.03 121.41 66.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 112.69 17.67 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.594 1.558 . . . . 0.0 108.33 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 t30 42.02 35.39 0.55 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.207 1.803 . . . . 0.0 113.675 -171.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.4 m -122.15 162.23 21.69 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.127 0.971 . . . . 0.0 111.28 -169.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -125.12 133.04 53.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -134.4 87.35 2.35 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.89 175.45 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 55.84 47.87 19.32 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 127.305 2.242 . . . . 0.0 112.263 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 62.57 44.21 7.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.153 1.381 . . . . 0.0 113.39 -178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.22 158.18 34.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -137.79 128.01 36.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.0 p -128.52 154.93 45.63 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.119 0.485 . . . . 0.0 110.615 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -150.14 122.42 8.39 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 46.48 38.0 4.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.606 1.963 . . . . 0.0 114.724 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -110.47 165.67 11.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.874 0.869 . . . . 0.0 111.537 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -122.74 140.32 53.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.19 1.796 . . . . 0.0 108.609 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -139.76 131.24 27.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 106.733 -1.581 . . . . 0.0 106.733 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 m -140.54 113.5 8.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -172.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.8 t70 43.24 43.3 3.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.174 2.19 . . . . 0.0 113.654 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.26 163.59 24.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 111.132 -170.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -130.44 139.87 50.57 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 121.407 -0.808 . . . . 0.0 109.917 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.75 130.81 42.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 125.538 1.535 . . . . 0.0 106.874 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -136.68 126.73 26.06 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? 34.74 52.27 0.56 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.699 2.0 . . . . 0.0 112.686 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.5 m -126.19 146.58 49.91 Favored 'General case' 0 CA--C 1.523 -0.093 0 O-C-N 121.26 -0.9 . . . . 0.0 109.405 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -94.07 134.06 32.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -153.51 97.8 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.351 -0.843 . . . . 0.0 109.463 -169.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.4 m -118.35 135.63 54.21 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.11 35.61 5.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.852 1.661 . . . . 0.0 111.894 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.83 161.51 14.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -138.84 112.09 8.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 171.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.2 mt -121.78 117.25 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -169.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -118.94 130.33 55.65 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 41.55 43.77 2.38 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.951 1.701 . . . . 0.0 113.758 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.4 m -126.53 168.64 13.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.755 0.822 . . . . 0.0 110.294 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -128.25 141.39 51.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.39 132.99 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.745 1.218 . . . . 0.0 107.749 -169.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -141.71 135.16 29.55 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.449 0.699 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt 49.51 24.73 1.19 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.176 1.39 . . . . 0.0 114.171 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -104.79 164.57 11.68 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.158 -0.964 . . . . 0.0 111.025 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.0 m -128.6 95.14 4.04 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.626 1.571 . . . . 0.0 107.972 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.71 131.85 34.33 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 m -137.19 97.97 3.62 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 39.65 96.22 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.374 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -126.36 167.53 15.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.183 0.991 . . . . 0.0 110.672 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -128.11 135.63 50.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.418 1.087 . . . . 0.0 108.209 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -120.58 141.91 49.86 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -143.49 121.01 11.73 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.88 44.31 98.25 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.228 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.03 166.96 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 119.013 1.407 . . . . 0.0 111.607 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.23 125.99 41.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -138.15 134.69 44.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 119.138 0.881 . . . . 0.0 110.058 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -135.48 131.78 36.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 123.568 0.747 . . . . 0.0 109.382 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 50.57 35.01 10.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.309 1.044 . . . . 0.0 113.178 169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.2 m -123.2 175.23 6.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.831 0.853 . . . . 0.0 111.854 -169.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m -135.38 139.4 44.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.7 p -137.74 127.4 25.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -136.91 106.08 6.01 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.96 54.07 30.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 103' ' ' GLY . 11.0 p -136.16 160.83 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.254 1.021 . . . . 0.0 110.702 -174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -131.13 121.32 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 mt -133.33 113.2 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -169.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -169.099 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.1 m -135.86 115.68 13.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.33 135.18 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 m -141.52 143.85 34.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 p 44.89 43.76 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.991 1.716 . . . . 0.0 113.79 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.9 t -126.42 161.69 27.31 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.249 1.02 . . . . 0.0 110.536 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.1 m -126.04 135.73 52.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.46 125.35 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.5 m -135.81 125.68 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 40.86 48.03 2.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.445 . . . . 0.0 112.504 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 86' ' ' THR . . . 82.64 5.09 89.78 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.53 -1.15 . . . . 0.0 114.256 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.03 114.55 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 119.488 1.644 . . . . 0.0 107.257 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 C-N-CA 123.415 0.686 . . . . 0.0 109.654 172.372 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.17 129.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.211 0.914 . . . . 0.0 109.964 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -122.35 137.74 54.75 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 168.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.9 tt -146.32 35.08 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.743 1.217 . . . . 0.0 109.786 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.8 m -59.27 134.74 57.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.445 1.498 . . . . 0.0 111.773 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.1 12.42 54.97 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.441 1.02 . . . . 0.0 114.436 172.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 84.1 m -82.72 160.68 22.31 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.708 1.254 . . . . 0.0 112.781 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.9 m -144.97 114.8 7.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 161.84 41.92 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.141 0.576 . . . . 0.0 111.676 -169.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.0 m -149.89 165.17 33.39 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.124 1.77 . . . . 0.0 109.255 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 150.84 41.65 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.959 0.504 . . . . 0.0 110.21 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 C--O 1.253 1.237 0 N-CA-C 106.949 -1.501 . . . . 0.0 106.949 168.703 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -77.05 99.15 5.22 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -66.88 -54.6 20.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.789 0.836 . . . . 0.0 110.172 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -164.86 30.7 0.06 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.269 1.028 . . . . 0.0 112.038 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -100.48 167.18 10.53 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.472 1.509 . . . . 0.0 111.556 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -104.16 134.22 47.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.18 115.72 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 p -68.99 166.34 18.2 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 111.211 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.63 39.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 114.214 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.37 7.14 13.81 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.475 0.71 . . . . 0.0 112.41 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.4 m -85.24 167.21 15.86 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.358 1.063 . . . . 0.0 108.717 169.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -145.81 149.67 34.76 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 p -133.63 139.01 46.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.3 t -145.03 130.32 13.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -169.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? 41.69 34.78 0.43 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.327 2.251 . . . . 0.0 113.516 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -137.75 170.82 15.4 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.92 1.688 . . . . 0.0 109.017 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -117.36 142.96 46.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.176 0.991 . . . . 0.0 108.846 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 118.57 11.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -120.89 111.52 17.64 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.629 0.772 . . . . 0.0 109.415 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 41.67 47.0 3.34 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 128.26 2.624 . . . . 0.0 114.445 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m -96.1 172.17 8.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.848 0.859 . . . . 0.0 110.342 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -127.4 123.6 36.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 30' ' ' SER . 23.0 mt -128.16 107.64 16.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -169.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.36 117.33 32.16 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.864 1.665 . . . . 0.0 108.496 -173.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 40.82 34.05 0.24 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.352 1.861 . . . . 0.0 114.202 -172.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.435 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -118.97 152.53 36.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 122.33 1.062 . . . . 0.0 112.278 -169.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -117.36 124.71 49.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.219 1.408 . . . . 0.0 107.765 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -127.03 103.01 7.23 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.54 167.46 26.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -168.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.89 68.2 0.9 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.25 1.82 . . . . 0.0 114.137 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 54.53 39.1 30.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.37 1.468 . . . . 0.0 113.741 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -81.8 170.44 15.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.82 140.22 30.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 O-C-N 122.004 -0.435 . . . . 0.0 110.271 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.7 t -120.07 136.96 54.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.95 113.08 7.51 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 42.16 56.79 3.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.541 1.936 . . . . 0.0 112.259 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -136.92 171.46 14.48 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.331 1.052 . . . . 0.0 111.437 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -123.01 132.47 54.15 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.467 1.507 . . . . 0.0 108.165 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 58' ' ' ILE . 19.1 m-85 -124.79 135.73 53.21 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 169.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -140.72 115.26 9.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 43.86 44.92 6.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.202 2.201 . . . . 0.0 113.343 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 171.4 9.1 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.909 1.284 . . . . 0.0 111.951 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -137.22 140.41 41.68 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.734 0.814 . . . . 0.0 109.494 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.4 128.63 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 124.797 1.239 . . . . 0.0 107.671 -171.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -134.71 130.45 36.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 108.982 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 32.42 48.98 0.13 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.166 2.187 . . . . 0.0 113.425 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -125.14 156.62 38.07 Favored 'General case' 0 CA--C 1.521 -0.145 0 O-C-N 121.576 -0.702 . . . . 0.0 109.34 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.15 125.9 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 -169.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.1 132.16 41.39 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -175.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.4 m -137.13 124.57 22.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 44.65 64.56 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.173 1.389 . . . . 0.0 112.294 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.6 t -116.02 157.89 23.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.52 1.128 . . . . 0.0 108.769 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -137.32 109.55 7.3 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 43' ' ' TYR . 16.0 mt -119.32 118.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -169.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.34 128.36 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 45.71 39.98 5.74 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.644 1.577 . . . . 0.0 113.517 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -125.57 163.49 22.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.773 0.829 . . . . 0.0 110.768 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.43 141.54 51.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.18 131.15 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -169.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.33 131.35 29.89 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.61 26.58 1.82 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.859 1.663 . . . . 0.0 113.546 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -110.0 163.5 13.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.643 1.177 . . . . 0.0 111.226 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.2 m -124.75 125.66 44.41 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.65 1.18 . . . . 0.0 108.697 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -118.07 125.06 49.56 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.052 1.341 . . . . 0.0 107.799 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 113.52 10.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.56 42.55 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.278 -0.735 . . . . 0.0 111.691 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -138.18 174.87 10.09 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.888 0.844 . . . . 0.0 112.29 -169.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -139.72 147.39 40.83 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.261 -0.899 . . . . 0.0 110.273 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -128.3 138.99 52.65 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 116.66 11.35 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.203 1.001 . . . . 0.0 108.416 172.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.8 44.0 98.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 118.596 -1.113 . . . . 0.0 113.345 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 164.56 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.16 1.48 . . . . 0.0 111.414 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -127.79 115.92 19.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.42 132.84 62.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -133.01 132.31 41.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.9 0.88 . . . . 0.0 109.112 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m 51.58 31.85 8.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.06 1.344 . . . . 0.0 113.742 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -117.0 173.97 6.36 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.793 0.837 . . . . 0.0 111.924 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.8 m -134.64 140.22 45.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.592 1.157 . . . . 0.0 107.978 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.04 118.9 9.27 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 m -136.79 115.78 12.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.119 0.967 . . . . 0.0 108.748 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.89 46.44 94.12 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 103' ' ' GLY . 6.4 p -135.49 155.82 49.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.219 1.01 . . . . 0.0 111.479 -169.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.1 m -131.47 130.81 42.91 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 169.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -125.26 130.2 73.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.234 0.24 0 C-N-CA 123.955 0.902 . . . . 0.0 109.565 -176.097 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -135.83 125.42 25.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.5 mt -138.18 134.76 44.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -174.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.4 m -138.14 138.84 39.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.096 0.959 . . . . 0.0 109.512 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.261 7.2 p 48.33 30.62 2.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.803 2.041 . . . . 0.0 114.731 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.2 m -89.87 159.87 16.75 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.298 -0.876 . . . . 0.0 110.973 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.4 m -130.03 124.62 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 86' ' ' THR . 11.6 mt -134.18 130.54 54.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -170.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -140.88 132.02 26.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -170.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 46.29 41.34 8.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.302 . . . . 0.0 112.276 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.94 9.78 84.89 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.248 -1.307 . . . . 0.0 114.873 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.28 126.16 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.691 1.745 . . . . 0.0 107.917 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.042 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 119.049 -0.5 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.6 t -74.29 123.57 24.82 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.092 0.86 . . . . 0.0 109.13 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 130.3 53.82 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 169.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 tt -142.94 145.65 22.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.482 1.113 . . . . 0.0 108.826 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.7 m -157.63 145.33 18.69 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.42 1.088 . . . . 0.0 109.462 173.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.14 24.6 73.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.009 -0.884 . . . . 0.0 113.785 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.07 160.05 20.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.562 1.181 . . . . 0.0 112.101 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.8 m -130.61 145.17 51.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.741 2.016 . . . . 0.0 106.401 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.99 142.02 51.06 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.367 1.067 . . . . 0.0 108.657 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.2 m -143.06 157.28 44.68 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.252 1.421 . . . . 0.0 108.425 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.79 158.81 25.32 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.709 0.403 . . . . 0.0 110.053 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 124.135 0.974 . . . . 0.0 108.625 169.197 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -135.01 134.87 40.9 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 95.78 4.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.944 1.698 . . . . 0.0 106.542 170.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 56.19 14.4 1.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.049 2.139 . . . . 0.0 116.173 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 m -75.14 165.77 24.7 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.583 -1.323 . . . . 0.0 109.991 169.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -120.56 136.69 54.72 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.06 118.74 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -65.2 165.59 11.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.611 0.72 . . . . 0.0 111.453 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.92 63.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.905 0.882 . . . . 0.0 112.798 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -100.77 14.16 32.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 111.662 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -115.02 167.71 10.56 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 125.315 1.446 . . . . 0.0 109.935 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -132.47 138.26 47.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.748 0.819 . . . . 0.0 108.903 -172.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.6 t -139.2 107.65 5.84 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.78 126.4 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -169.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 56.29 -4.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.733 2.413 . . . . 0.0 115.616 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -90.73 178.29 6.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.964 1.306 . . . . 0.0 111.277 -169.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 m -125.1 134.33 52.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 172.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.98 126.26 37.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -120.2 111.72 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 44.38 37.45 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.639 2.375 . . . . 0.0 113.611 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.82 170.04 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.659 0.783 . . . . 0.0 109.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -133.66 128.26 34.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 30' ' ' SER . 22.8 mt -136.73 116.66 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.34 127.61 45.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.769 1.228 . . . . 0.0 109.659 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 38.84 38.35 0.27 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.06 2.144 . . . . 0.0 112.786 -169.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.491 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -128.78 167.95 16.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.8 0.84 . . . . 0.0 112.285 -169.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -128.68 131.44 47.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.61 106.25 9.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.78 162.4 36.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 46.01 74.31 0.15 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.832 2.453 . . . . 0.0 112.856 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 48.18 42.65 17.75 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.6 m -74.31 158.93 33.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 167.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.34 125.88 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -129.5 137.7 50.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -169.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -135.98 110.8 8.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 50.93 26.83 2.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.67 1.988 . . . . 0.0 115.192 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 m -92.29 160.08 15.3 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.321 0.964 . . . . 0.0 110.287 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.35 122.48 47.52 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.739 2.016 . . . . 0.0 107.032 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -113.81 136.27 53.05 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -139.92 116.47 10.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 46.27 41.97 9.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.98 1.712 . . . . 0.0 113.752 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.42 170.55 14.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.847 1.259 . . . . 0.0 112.829 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -132.42 140.45 48.45 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.099 0.959 . . . . 0.0 109.78 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.21 128.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.089 1.356 . . . . 0.0 107.455 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.99 130.09 37.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.796 0.838 . . . . 0.0 109.647 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 tttt 33.5 49.91 0.26 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.211 2.205 . . . . 0.0 112.937 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 m -125.84 161.66 26.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.51 132.43 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -142.51 140.43 31.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.48 0.582 . . . . 0.0 110.622 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -136.84 113.38 10.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.29 1.436 . . . . 0.0 107.63 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.13 49.3 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.301 1.84 . . . . 0.0 112.446 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.8 m -112.03 168.58 9.49 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.029 0.931 . . . . 0.0 110.387 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -120.42 134.97 55.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.2 mt -134.97 100.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.41 129.42 56.02 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 mttp 51.8 25.23 2.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.396 1.478 . . . . 0.0 114.229 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -112.4 167.56 10.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.594 0.758 . . . . 0.0 111.684 -169.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -128.97 131.92 47.52 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.01 131.0 52.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -169.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -137.03 133.91 36.0 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.118 0.567 . . . . 0.0 109.801 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt 49.69 29.01 2.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -111.52 163.13 14.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.501 1.12 . . . . 0.0 110.637 -169.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -125.71 130.34 51.34 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.764 1.226 . . . . 0.0 107.949 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.8 t -129.65 130.31 45.41 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.144 0.978 . . . . 0.0 109.096 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -138.56 120.14 15.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.47 31.18 51.36 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.74 0.686 . . . . 0.0 113.477 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.86 161.54 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.964 0.905 . . . . 0.0 110.14 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -131.69 121.71 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -170.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -110.1 138.5 46.39 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.3 115.39 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.7 48.69 84.96 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 118.849 -0.973 . . . . 0.0 113.178 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.09 157.88 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 118.296 1.048 . . . . 0.0 110.88 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -128.3 102.84 6.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -124.57 136.44 60.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 122.875 0.47 . . . . 0.0 110.434 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 148.21 47.57 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 53.89 31.69 13.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.648 1.579 . . . . 0.0 113.063 170.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -121.37 175.49 6.14 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.78 0.832 . . . . 0.0 112.025 -169.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -136.97 137.67 39.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.524 1.13 . . . . 0.0 108.747 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 p -135.51 128.29 31.09 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -135.08 111.49 9.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.386 1.074 . . . . 0.0 108.683 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.2 49.96 72.89 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -137.29 131.13 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.999 0.9 . . . . 0.0 111.683 -169.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -95.89 136.51 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 169.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.6 mm -133.88 109.77 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 -173.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.041 0.448 . . . . 0.0 111.303 -169.442 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -134.61 123.94 24.61 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.69 134.79 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -142.65 134.93 27.55 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 p 46.62 38.64 5.89 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.555 1.542 . . . . 0.0 113.379 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -115.62 160.98 19.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.237 1.015 . . . . 0.0 110.357 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.4 m -127.16 136.19 51.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 169.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.449 HG22 HG21 ' A' ' 86' ' ' THR . 6.8 mt -137.55 131.52 43.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 -177.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.0 m -136.78 132.07 34.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 38.21 51.39 1.52 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.547 1.539 . . . . 0.0 113.299 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.0 3.76 90.63 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.332 -1.26 . . . . 0.0 114.411 173.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.91 120.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 119.684 1.742 . . . . 0.0 108.022 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 C-N-CA 123.425 0.69 . . . . 0.0 109.818 172.817 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 118.834 -0.603 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.58 132.36 44.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.662 0.665 . . . . 0.0 110.066 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.79 138.08 50.85 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 tt -141.0 143.86 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.121 1.368 . . . . 0.0 108.677 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 m -146.55 150.06 34.79 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.335 1.054 . . . . 0.0 109.397 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.75 37.35 56.98 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.451 1.5 . . . . 0.0 114.164 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 5.9 t -134.06 160.35 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.394 1.097 . . . . 0.0 112.917 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -125.82 147.25 49.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.897 1.679 . . . . 0.0 108.112 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -128.78 149.42 50.73 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.836 1.255 . . . . 0.0 108.725 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 m -147.06 159.3 43.75 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.307 1.043 . . . . 0.0 109.086 171.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.37 148.97 30.39 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.6 ttt . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.234 1.014 . . . . 0.0 108.431 169.602 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -91.91 126.11 36.87 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.362 0.665 . . . . 0.0 110.012 -172.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.16 -56.19 4.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.411 1.084 . . . . 0.0 109.89 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -160.49 12.04 0.11 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.607 1.163 . . . . 0.0 112.375 -175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -73.48 159.36 33.33 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 111.257 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -96.69 133.96 40.55 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 170.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.83 113.03 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -71.12 169.94 13.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.398 0.618 . . . . 0.0 111.552 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.05 -25.91 59.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.962 1.305 . . . . 0.0 113.921 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -121.17 34.62 5.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.319 1.048 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 m -121.99 163.38 19.46 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.615 1.566 . . . . 0.0 108.978 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -155.96 148.21 23.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.321 0.51 . . . . 0.0 110.295 -171.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.79 145.37 48.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 168.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.11 116.58 3.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt 62.67 -19.88 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.51 2.724 . . . . 0.0 114.545 -170.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -62.98 164.27 8.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.778 1.231 . . . . 0.0 113.436 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 m -112.14 148.74 33.35 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.366 1.466 . . . . 0.0 107.3 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 132.76 26.8 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.613 -0.679 . . . . 0.0 109.591 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 81.08 2.01 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.437 0.695 . . . . 0.0 109.522 -169.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.78 59.76 4.26 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.94 1.696 . . . . 0.0 111.379 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m -106.55 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.946 1.298 . . . . 0.0 109.108 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -137.13 117.24 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.429 HG23 ' HB2' ' A' ' 30' ' ' SER . 35.6 mt -123.56 112.89 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -169.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -118.18 115.38 24.66 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.815 1.646 . . . . 0.0 108.488 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 t30 43.0 38.88 1.57 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.911 1.684 . . . . 0.0 113.264 -173.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' HG23 ' A' ' 27' ' ' ILE . 66.7 m -129.29 165.04 22.22 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.053 0.941 . . . . 0.0 112.442 -169.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -126.98 133.45 50.57 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.922 0.889 . . . . 0.0 108.642 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -132.31 84.84 2.18 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.1 179.52 2.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -167.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 t0 55.82 52.88 10.09 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.758 2.023 . . . . 0.0 111.89 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 58.29 40.81 24.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.972 0.909 . . . . 0.0 113.163 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -73.38 173.78 9.07 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.193 -0.942 . . . . 0.0 109.543 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.67 146.56 21.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 121.489 -0.757 . . . . 0.0 109.694 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.92 153.24 50.48 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -144.77 126.99 15.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 46.27 36.28 3.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.481 1.512 . . . . 0.0 113.766 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.3 m -116.19 158.61 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.256 0.622 . . . . 0.0 111.248 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -115.63 137.97 51.54 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.684 1.594 . . . . 0.0 107.607 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.62 129.75 33.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -141.32 115.47 9.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -171.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 43.83 42.02 4.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.686 1.994 . . . . 0.0 113.757 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.33 167.13 14.77 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.367 1.467 . . . . 0.0 111.758 -169.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -134.84 138.2 43.98 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 123.612 0.765 . . . . 0.0 109.698 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.65 133.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -135.11 130.76 35.98 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 34.76 52.38 0.57 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.805 2.042 . . . . 0.0 113.54 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.1 m -123.68 156.51 35.78 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.38 -0.825 . . . . 0.0 109.225 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.55 110.66 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -169.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -130.65 139.97 50.37 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 118.632 0.651 . . . . 0.0 109.935 -169.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.2 m -136.29 129.83 32.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.801 1.24 . . . . 0.0 107.714 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t0 42.18 67.46 0.58 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.409 2.283 . . . . 0.0 112.76 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 68.5 m -128.35 167.13 17.4 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.475 0.71 . . . . 0.0 110.682 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -133.07 112.17 11.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 105.626 -1.991 . . . . 0.0 105.626 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 73' ' ' TYR . 19.7 mm -117.71 107.66 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -168.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -119.1 127.59 53.51 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 47.14 34.42 2.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.713 1.605 . . . . 0.0 113.652 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.0 m -119.35 165.58 14.12 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.574 0.749 . . . . 0.0 111.198 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -126.22 132.66 51.7 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.277 1.431 . . . . 0.0 107.504 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -136.02 133.76 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.43 136.35 31.26 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.95 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 mt 51.9 27.12 4.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.717 1.207 . . . . 0.0 113.464 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 m -109.71 159.8 16.85 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 110.235 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.0 m -122.43 128.57 51.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.7 t -128.33 126.5 40.86 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.928 0.891 . . . . 0.0 108.786 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 m -135.98 121.25 19.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.54 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 119.415 -0.658 . . . . 0.0 112.632 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.0 m -129.1 165.17 21.76 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.275 1.03 . . . . 0.0 110.482 -169.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.99 134.73 44.86 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 58' ' ' ILE . 16.0 m-30 -118.23 131.17 56.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -140.24 101.44 4.14 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.91 43.56 82.36 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.764 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' A' ' 93' ' ' CYS . 3.7 pt -129.12 169.89 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.426 1.613 . . . . 0.0 111.916 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -123.68 129.66 51.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.2 tt -143.15 131.49 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -137.09 135.48 37.5 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.369 0.668 . . . . 0.0 109.484 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m 51.37 35.08 13.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.248 1.419 . . . . 0.0 113.664 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -121.87 174.71 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 111.843 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -136.86 133.93 36.36 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.456 1.102 . . . . 0.0 108.524 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.5 p -136.38 128.48 29.68 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -135.69 114.68 12.18 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.163 0.985 . . . . 0.0 108.409 -174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.06 41.91 99.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -131.79 121.34 23.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.656 1.228 . . . . 0.0 111.968 -168.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.4 m -93.94 134.35 36.42 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 168.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -137.08 125.05 32.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 CA--C 1.532 0.27 0 C-N-CA 124.364 1.066 . . . . 0.0 110.746 -176.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.483 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.3 t . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -136.0 131.6 35.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.9 134.82 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -138.52 141.07 39.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.216 0.606 . . . . 0.0 110.222 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.44 31.2 16.46 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 168.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 94.9 m -104.52 163.56 12.37 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.139 0.976 . . . . 0.0 111.983 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -129.81 133.44 46.95 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mt -141.51 135.36 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 m -140.19 128.82 22.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.41 1.084 . . . . 0.0 108.282 -172.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 40.66 49.28 2.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.521 1.529 . . . . 0.0 113.333 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.501 ' H ' HG22 ' A' ' 86' ' ' THR . . . 83.93 2.69 89.55 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.066 -1.408 . . . . 0.0 114.42 172.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 t -130.73 137.02 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 119.898 1.849 . . . . 0.0 108.184 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.358 0 O-C-N 121.73 -0.606 . . . . 0.0 109.625 173.639 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.2 t -59.06 133.72 56.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 110.768 -175.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -135.55 128.61 31.59 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.6 tt -141.13 143.99 27.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 124.386 1.074 . . . . 0.0 109.366 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 m -146.81 146.57 30.29 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.52 1.128 . . . . 0.0 109.366 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.33 37.62 60.21 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.26 1.41 . . . . 0.0 113.632 169.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.18 160.2 28.4 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.176 0.988 . . . . 0.0 112.98 -169.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.8 m -134.11 144.81 48.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.833 2.053 . . . . 0.0 107.344 171.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.24 145.88 51.26 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.881 1.272 . . . . 0.0 108.509 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.8 m -142.84 150.38 39.82 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.515 1.126 . . . . 0.0 108.857 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.71 169.27 13.21 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.102 0.561 . . . . 0.0 110.407 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -176.716 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -72.89 157.88 36.59 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.119 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -123.06 -66.46 1.02 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.412 1.885 . . . . 0.0 107.3 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -148.81 16.74 0.98 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.227 1.811 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -69.75 169.62 12.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.5 0.72 . . . . 0.0 110.552 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -118.17 139.89 50.6 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.04 116.63 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -64.06 162.7 13.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.22 0.533 . . . . 0.0 111.477 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.49 63.18 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -109.07 -4.72 16.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.371 0.668 . . . . 0.0 112.087 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 m -71.75 171.55 11.39 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.387 0.675 . . . . 0.0 109.985 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -139.45 143.56 37.64 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.565 -0.709 . . . . 0.0 109.187 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -134.2 121.23 21.07 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 104.691 -2.336 . . . . 0.0 104.691 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -143.58 129.99 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 pttt 34.01 45.39 0.11 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.197 2.199 . . . . 0.0 113.297 -173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -140.12 160.66 39.44 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.554 1.542 . . . . 0.0 108.371 -172.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -117.47 141.32 48.49 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.28 124.12 19.96 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -121.58 110.76 16.4 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.365 1.066 . . . . 0.0 109.05 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 42.57 40.82 2.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.203 1.801 . . . . 0.0 113.894 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -87.74 166.69 14.45 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -132.5 125.83 31.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.8 mt -127.92 118.27 48.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -169.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.83 115.18 23.32 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.812 1.645 . . . . 0.0 108.421 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.98 40.51 1.04 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.291 1.836 . . . . 0.0 113.988 -174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.5 m -127.58 165.19 20.39 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.015 0.926 . . . . 0.0 111.436 -169.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.31 130.31 50.58 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 tp -125.22 100.69 6.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.13 163.41 36.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.9 63.4 2.14 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.833 1.653 . . . . 0.0 113.42 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 34.61 17.54 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.936 1.695 . . . . 0.0 113.417 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 m -76.54 152.09 36.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.6 mt -139.25 120.72 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.63 147.49 45.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.459 0.572 . . . . 0.0 109.612 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -143.4 114.37 7.74 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 59.86 13.95 3.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.557 1.543 . . . . 0.0 113.815 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -95.57 166.67 11.73 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.015 -1.053 . . . . 0.0 112.117 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -118.31 138.13 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.966 2.106 . . . . 0.0 107.831 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -135.38 130.51 35.02 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.88 113.8 7.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -171.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 43.27 44.46 4.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.449 1.9 . . . . 0.0 113.13 -173.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.38 171.12 10.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.669 1.588 . . . . 0.0 112.268 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -133.65 144.14 49.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.36 1.064 . . . . 0.0 109.138 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.13 128.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -133.91 127.26 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm 37.15 49.29 0.84 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.294 1.838 . . . . 0.0 113.487 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -128.19 149.07 50.61 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.734 -0.604 . . . . 0.0 109.616 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.76 128.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.13 112.05 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -168.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -125.25 127.86 47.4 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.943 0.897 . . . . 0.0 109.977 -169.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 46.72 40.36 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.889 2.076 . . . . 0.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 m -105.55 165.2 11.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.376 0.671 . . . . 0.0 109.977 -176.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -127.65 111.77 14.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mm -117.05 100.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -118.31 130.98 56.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -171.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm 49.38 21.98 0.64 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.465 1.506 . . . . 0.0 114.196 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -110.31 163.36 13.72 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.146 0.884 . . . . 0.0 111.576 -169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -133.05 115.97 15.79 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.8 t -119.81 134.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 124.8 1.24 . . . . 0.0 108.789 -168.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -141.13 132.65 26.97 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.671 0.788 . . . . 0.0 109.3 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.3 mt 49.05 26.99 1.54 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.54 1.136 . . . . 0.0 113.513 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m -110.95 163.75 13.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.565 1.146 . . . . 0.0 111.341 -168.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.8 m -123.91 131.82 53.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.23 1.412 . . . . 0.0 107.498 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -131.38 134.43 46.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.867 1.267 . . . . 0.0 108.332 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 m -138.03 118.84 14.14 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.84 35.92 59.14 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 118.94 -0.922 . . . . 0.0 113.338 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -130.97 158.88 39.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.458 1.129 . . . . 0.0 112.143 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 124.91 53.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -110.25 132.65 53.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.469 -2.049 . . . . 0.0 105.469 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.32 103.38 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.02 42.46 92.48 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-O 118.544 -1.142 . . . . 0.0 112.457 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -126.12 146.7 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.08 1.44 . . . . 0.0 111.372 -175.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -99.12 130.19 45.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 168.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.27 131.2 16.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 118.65 0.659 . . . . 0.0 109.622 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -132.36 138.51 47.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.679 0.792 . . . . 0.0 109.739 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m 51.44 29.13 4.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.916 1.287 . . . . 0.0 114.131 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.0 m -114.21 173.31 6.51 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.989 0.813 . . . . 0.0 112.232 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -136.9 134.66 37.05 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 107.888 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.8 p -134.16 154.48 51.2 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.532 0.733 . . . . 0.0 109.417 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.2 m -152.37 134.33 14.87 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.333 -0.854 . . . . 0.0 108.961 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.46 45.45 36.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.924 1.249 . . . . 0.0 114.051 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -142.31 161.62 37.56 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.554 1.677 . . . . 0.0 110.473 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -122.22 130.55 53.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.4 mt -136.35 121.75 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 -169.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.45 -0.451 0 C-N-CA 123.925 0.89 . . . . 0.0 109.767 -170.309 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.1 t . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.3 m -139.06 132.04 29.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.521 1.528 . . . . 0.0 107.685 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -138.17 139.61 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.957 1.303 . . . . 0.0 107.534 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 m -140.28 143.21 35.79 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 p 46.93 35.3 3.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.309 1.844 . . . . 0.0 113.332 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.5 t -104.39 162.67 13.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.51 0.724 . . . . 0.0 111.788 -169.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 m -129.57 130.85 46.23 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 171.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.54 142.18 31.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.4 m -150.24 134.55 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 43.74 46.31 6.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.189 1.396 . . . . 0.0 113.225 173.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.84 86.72 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 118.83 -0.983 . . . . 0.0 113.784 173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.05 137.37 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 C-N-CA 125.498 1.519 . . . . 0.0 110.309 -173.371 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 118.906 -0.568 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.67 133.22 55.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.689 0.677 . . . . 0.0 110.159 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -133.36 136.87 45.61 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.2 mt -138.78 140.49 38.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.9 m -142.86 144.55 32.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.995 1.318 . . . . 0.0 108.605 173.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.78 29.63 67.76 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.72 -1.045 . . . . 0.0 114.39 170.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.99 164.25 16.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.812 1.306 . . . . 0.0 112.809 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.7 m -135.53 135.14 40.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 126.818 2.047 . . . . 0.0 106.282 172.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -128.73 144.8 51.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.534 1.133 . . . . 0.0 108.278 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.9 m -147.93 159.9 43.38 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.096 1.358 . . . . 0.0 109.429 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.82 154.53 38.25 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.846 -0.534 . . . . 0.0 109.724 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.857 0.863 . . . . 0.0 108.785 169.477 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 122.463 1.125 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -72.71 128.29 35.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.787 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -126.53 107.26 10.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t30 42.63 31.05 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.59 2.356 . . . . 0.0 115.319 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -101.84 161.49 13.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.347 1.059 . . . . 0.0 111.175 -174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -119.22 129.85 55.17 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 114.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.5 p -68.39 166.27 17.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.257 0.551 . . . . 0.0 110.884 -175.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.89 62.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.957 0.903 . . . . 0.0 113.126 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -102.64 0.69 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.287 1.435 . . . . 0.0 111.973 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -91.56 177.88 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.664 1.185 . . . . 0.0 109.083 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -147.27 137.35 23.17 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.497 -0.752 . . . . 0.0 110.733 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.17 144.84 33.62 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.413 1.885 . . . . 0.0 106.77 169.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.04 -44.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-O 122.49 1.138 . . . . 0.0 112.424 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -148.36 97.56 2.78 Favored 'General case' 0 C--N 1.315 -0.933 1 N-CA-C 100.123 -4.029 . . . . 0.0 100.123 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -152.85 -179.63 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.6 m -149.48 133.88 17.47 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 169.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.82 130.5 22.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -125.67 110.95 14.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.18 42.88 0.8 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.919 2.088 . . . . 0.0 113.087 -171.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.61 163.45 23.63 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -132.28 122.42 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 30' ' ' SER . 20.6 mt -136.36 116.99 17.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -169.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -125.38 127.2 46.21 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.223 1.409 . . . . 0.0 109.499 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t30 37.0 40.13 0.14 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.086 2.154 . . . . 0.0 113.89 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -130.65 162.47 29.31 Favored 'General case' 0 CA--C 1.527 0.072 0 O-C-N 121.688 -0.633 . . . . 0.0 112.155 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -116.87 133.17 56.34 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.344 0.658 . . . . 0.0 109.376 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -123.38 96.67 5.08 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.51 174.07 12.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 118.643 0.656 . . . . 0.0 112.591 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.8 t0 51.6 46.55 26.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.646 1.978 . . . . 0.0 112.935 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.269 1.3 m 59.99 41.3 17.71 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.841 2.056 . . . . 0.0 112.982 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -70.94 164.07 26.2 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.3 141.85 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.655 0.382 . . . . 0.0 110.515 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.3 t -126.99 138.94 53.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 107.824 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -135.24 103.34 5.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 58.63 20.01 7.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.706 1.202 . . . . 0.0 113.855 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.3 m -89.25 166.38 13.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.459 1.027 . . . . 0.0 110.548 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.98 129.46 56.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.953 1.701 . . . . 0.0 107.334 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.5 135.61 53.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 m -142.55 115.73 8.91 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 47.14 41.76 12.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.046 1.738 . . . . 0.0 113.225 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.55 171.27 12.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.013 1.325 . . . . 0.0 113.147 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -130.34 137.95 50.18 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.164 0.986 . . . . 0.0 109.003 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -137.11 126.92 38.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -134.57 128.73 33.82 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.718 0.807 . . . . 0.0 109.204 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tttm 34.15 50.56 0.37 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 127.05 2.14 . . . . 0.0 112.954 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -125.73 161.24 27.76 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -114.93 132.49 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 137.19 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.335 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.1 m -135.92 131.01 34.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.645 1.178 . . . . 0.0 108.117 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 45.95 46.98 12.56 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.775 2.03 . . . . 0.0 112.099 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.08 165.15 11.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.038 0.935 . . . . 0.0 109.003 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -132.24 119.35 20.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.7 mt -123.04 100.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 -169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.41 127.23 56.05 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -172.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.54 28.69 4.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.089 1.356 . . . . 0.0 113.389 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -118.73 167.45 11.66 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.292 -169.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.83 135.58 51.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.84 130.19 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.13 133.26 33.16 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt 48.51 27.92 1.58 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.588 1.086 . . . . 0.0 113.799 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -112.03 163.81 13.85 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.027 -1.045 . . . . 0.0 111.137 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 m -128.47 107.02 9.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.902 1.281 . . . . 0.0 108.749 -177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.47 131.4 44.76 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.312 0.645 . . . . 0.0 109.37 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.7 m -134.07 113.88 12.57 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.55 37.31 66.84 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 119.208 -0.773 . . . . 0.0 112.715 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -132.23 178.44 6.81 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.485 1.114 . . . . 0.0 110.341 -169.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.48 140.84 35.4 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -123.97 134.65 53.44 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.37 118.29 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 171.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.37 94.18 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.731 -1.038 . . . . 0.0 113.415 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -125.02 164.58 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 118.968 1.384 . . . . 0.0 111.768 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -122.97 122.72 39.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 169.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.08 131.92 42.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -134.77 142.27 46.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.983 0.42 . . . . 0.0 111.508 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 52.78 31.2 10.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.441 1.497 . . . . 0.0 113.62 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -120.12 174.77 6.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.907 0.883 . . . . 0.0 111.927 -169.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -137.4 139.49 40.75 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.458 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p -138.63 130.56 28.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 m -132.65 128.37 36.92 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.085 0.954 . . . . 0.0 108.607 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.56 32.55 39.14 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 118.264 -1.298 . . . . 0.0 114.411 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -129.7 165.2 22.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.313 2.056 . . . . 0.0 110.963 -171.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 t -130.12 131.6 45.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -127.45 135.57 62.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 125.146 1.378 . . . . 0.0 109.867 -170.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 120.945 0.403 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.8 m -139.05 124.83 19.66 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 126.704 2.002 . . . . 0.0 105.752 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.95 135.12 48.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.8 m -135.38 137.86 42.75 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.238 1.015 . . . . 0.0 109.409 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.84 37.46 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.632 1.573 . . . . 0.0 114.358 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.7 m -100.6 161.84 13.33 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.091 0.957 . . . . 0.0 110.824 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.5 m -129.07 130.92 47.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 104.046 -2.576 . . . . 0.0 104.046 169.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mt -135.92 132.21 50.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.2 m -131.1 123.04 27.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 43.63 41.82 3.76 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.517 1.527 . . . . 0.0 113.522 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.12 69.64 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.002 -0.888 . . . . 0.0 113.352 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.69 111.19 29.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 171.561 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.54 127.85 34.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -132.86 131.06 40.55 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 tt -143.81 147.79 19.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.325 1.05 . . . . 0.0 109.17 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -157.77 150.04 22.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 109.15 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.62 19.11 70.76 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.762 -1.021 . . . . 0.0 114.687 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 81.3 m -110.93 163.47 13.78 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.535 1.167 . . . . 0.0 112.222 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.8 m -136.31 139.04 42.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 168.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.23 155.3 41.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.868 0.758 . . . . 0.0 111.435 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 m -155.34 170.8 21.05 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.502 1.521 . . . . 0.0 109.878 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.32 148.41 49.75 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 168.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.499 0.72 . . . . 0.0 109.247 176.122 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 122.906 1.336 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -76.74 102.82 6.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.517 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -68.51 -54.98 13.33 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -170.14 81.3 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.175 1.79 . . . . 0.0 107.512 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -144.48 168.63 19.66 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.409 1.484 . . . . 0.0 110.844 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -128.5 134.79 48.78 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.03 1.332 . . . . 0.0 108.506 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.62 122.85 17.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.7 p -71.73 168.85 16.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.303 0.573 . . . . 0.0 111.726 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.62 -27.32 62.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.573 1.149 . . . . 0.0 113.837 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -109.99 -0.46 18.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.293 0.637 . . . . 0.0 112.12 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -78.58 165.75 23.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -143.45 149.89 38.24 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 p -136.17 129.25 31.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.72 134.56 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 pttt 34.68 45.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.606 1.962 . . . . 0.0 113.177 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -139.99 178.4 7.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.96 1.704 . . . . 0.0 108.211 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.3 m -136.05 141.85 44.33 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -173.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.62 120.45 12.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.93 0.492 . . . . 0.0 109.76 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.5 m -125.71 124.71 41.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 108.801 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.67 37.62 3.45 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.769 1.628 . . . . 0.0 112.04 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.1 t -94.64 152.75 18.24 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -126.11 125.54 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 30' ' ' SER . 27.9 mt -127.74 106.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 -172.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -115.39 120.24 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 125.357 1.463 . . . . 0.0 108.269 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 t30 40.16 32.02 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.754 2.021 . . . . 0.0 113.713 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.9 m -117.41 156.89 27.15 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.862 0.865 . . . . 0.0 111.636 -169.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -125.35 117.03 22.85 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -169.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -117.73 104.55 11.1 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 125.181 1.392 . . . . 0.0 107.502 -171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.16 163.45 36.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 112.823 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 t70 52.77 66.51 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.216 1.806 . . . . 0.0 113.599 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.09 33.0 19.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.984 1.713 . . . . 0.0 113.255 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.3 m -76.02 149.9 37.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.04 133.24 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -129.53 135.76 49.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 m -139.3 118.52 12.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 44.82 39.91 3.89 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.053 1.741 . . . . 0.0 114.197 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -125.69 167.79 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.603 0.761 . . . . 0.0 111.882 -172.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -119.47 132.89 55.88 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.686 1.594 . . . . 0.0 108.052 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.0 133.8 54.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m -141.4 118.84 11.51 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.12 42.55 3.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.538 1.935 . . . . 0.0 113.057 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.95 167.03 12.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.95 1.3 . . . . 0.0 112.142 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -132.21 143.65 50.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.28 1.032 . . . . 0.0 109.034 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.14 130.59 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -133.9 124.75 26.95 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.33 47.93 1.57 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.431 1.892 . . . . 0.0 113.262 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -126.6 150.53 48.83 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.33 124.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.24 130.97 41.64 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.6 m -137.0 123.6 20.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 t70 50.24 46.71 24.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.56 1.544 . . . . 0.0 113.434 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.3 m -116.85 165.11 13.7 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.427 -0.796 . . . . 0.0 111.607 -174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -132.58 111.55 11.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -124.76 110.7 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -169.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -123.66 135.15 53.74 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm 49.86 21.22 0.66 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.249 1.819 . . . . 0.0 114.377 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -109.81 164.28 12.72 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.973 0.806 . . . . 0.0 112.839 -168.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -128.35 126.39 40.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.94 133.47 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 123.9 0.88 . . . . 0.0 108.855 -168.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -143.11 127.8 18.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.683 0.793 . . . . 0.0 109.665 -173.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt 44.1 35.08 1.09 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.845 1.202 . . . . 0.0 113.977 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -115.26 159.16 21.34 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 120.942 -1.099 . . . . 0.0 110.307 -169.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.9 m -125.36 126.93 45.82 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -123.59 126.88 47.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.848 1.259 . . . . 0.0 108.124 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -134.61 118.74 17.54 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 31.28 58.64 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.998 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.3 m -125.5 169.75 12.11 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.267 1.034 . . . . 0.0 111.092 -169.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -139.98 129.89 24.74 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.482 -0.761 . . . . 0.0 109.005 -169.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -119.86 139.97 51.55 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -140.73 105.94 5.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.578 0.751 . . . . 0.0 109.145 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.77 45.51 88.27 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-O 118.8 -1.0 . . . . 0.0 112.78 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.9 156.21 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 118.828 1.314 . . . . 0.0 110.912 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -114.14 125.7 54.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 168.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -138.59 128.44 32.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -128.72 144.59 51.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.598 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m 53.81 27.19 6.79 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.927 1.291 . . . . 0.0 113.582 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 m -117.13 173.5 6.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.675 0.79 . . . . 0.0 112.097 -169.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -134.46 135.08 42.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.354 1.062 . . . . 0.0 108.205 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -135.64 125.77 26.18 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 120.64 22.39 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 44.58 74.53 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 117.401 -1.777 . . . . 0.0 113.017 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 t -140.24 151.16 44.93 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.137 2.469 . . . . 0.0 111.209 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 m -109.54 145.13 36.83 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.394 1.077 . . . . 0.0 108.45 171.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.6 mt -142.48 131.06 21.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 124.807 1.243 . . . . 0.0 109.971 179.48 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -138.48 126.35 22.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.318 1.447 . . . . 0.0 107.37 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 mt -138.2 137.94 43.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 124.574 1.15 . . . . 0.0 108.052 -174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -139.06 141.24 38.21 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.167 0.587 . . . . 0.0 110.118 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.48 33.93 3.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.27 1.828 . . . . 0.0 113.984 169.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 t -104.87 165.51 11.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.926 0.89 . . . . 0.0 110.745 -173.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.1 m -129.14 128.68 43.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -136.27 134.76 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 m -141.51 134.04 28.35 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.657 0.783 . . . . 0.0 109.283 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 43.99 38.19 2.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.241 1.816 . . . . 0.0 114.995 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.44 11.8 63.83 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.758 -1.023 . . . . 0.0 113.326 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 123.13 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 119.053 1.426 . . . . 0.0 107.808 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 170.32 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.1 -0.476 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.01 132.9 46.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.778 0.717 . . . . 0.0 109.165 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -131.56 135.59 47.14 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.8 tt -145.11 142.38 22.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 125.279 1.431 . . . . 0.0 107.752 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.6 m -157.69 141.9 16.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.18 0.992 . . . . 0.0 109.438 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.03 26.09 73.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 119.15 -0.806 . . . . 0.0 113.385 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 86.4 m -116.5 159.69 21.7 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.393 1.096 . . . . 0.0 112.016 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.8 m -132.85 149.77 52.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 127.111 2.164 . . . . 0.0 106.288 169.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.96 151.47 49.64 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.09 0.956 . . . . 0.0 109.007 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.61 167.2 31.17 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.326 1.05 . . . . 0.0 109.511 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.22 -178.78 4.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.927 0.87 . . . . 0.0 111.796 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mmm . . . . . 0 C--O 1.247 0.954 0 C-N-CA 127.928 2.491 . . . . 0.0 104.747 169.874 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.59 135.72 38.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.908 -0.495 . . . . 0.0 109.667 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 m -130.58 93.2 3.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.159 2.183 . . . . 0.0 106.318 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.8 t30 53.5 18.22 1.33 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.434 2.294 . . . . 0.0 116.067 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -74.22 159.38 32.58 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 120.516 -1.365 . . . . 0.0 110.413 170.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -103.63 134.33 47.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.96 119.9 24.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -68.19 167.99 13.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.057 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.91 60.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.311 1.044 . . . . 0.0 113.522 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -106.89 -13.83 15.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.8 m -63.85 163.44 11.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.497 . . . . 0.0 110.028 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -132.56 141.54 48.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 t -137.32 116.12 12.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -142.04 117.78 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 63.8 -25.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.128 2.571 . . . . 0.0 114.577 -173.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.6 m -58.51 170.16 0.8 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.677 1.991 . . . . 0.0 113.497 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -123.2 137.12 54.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.88 117.41 12.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -113.83 104.84 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.42 42.15 3.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.125 2.17 . . . . 0.0 112.907 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.4 m -84.13 172.52 11.87 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.47 117.77 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 30' ' ' SER . 43.9 mt -127.58 110.26 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 -169.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -120.04 123.41 43.37 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 125.605 1.562 . . . . 0.0 108.67 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t30 38.64 33.29 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.254 2.222 . . . . 0.0 113.956 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' HG23 ' A' ' 27' ' ' ILE . 75.3 m -118.39 158.86 24.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.853 0.861 . . . . 0.0 111.418 -169.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.24 6.74 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -172.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.33 93.47 6.89 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.08 177.33 6.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 121.323 -0.86 . . . . 0.0 112.034 -169.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 57.76 51.36 9.38 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.108 1.363 . . . . 0.0 111.055 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.8 m 47.52 47.91 17.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.011 1.724 . . . . 0.0 115.046 -174.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -75.18 163.06 27.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 167.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -140.44 131.61 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -134.03 151.28 51.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.0 0.818 . . . . 0.0 110.741 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -138.86 113.77 9.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 56.38 13.98 1.46 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.1 m -84.4 155.15 22.42 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.88 1.218 . . . . 0.0 110.3 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -101.4 133.92 45.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.414 1.486 . . . . 0.0 107.102 171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.28 132.1 52.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.519 -1.659 . . . . 0.0 106.519 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 m -138.79 117.12 11.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 45.46 39.65 4.84 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.355 1.862 . . . . 0.0 113.322 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.87 171.7 7.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.139 1.375 . . . . 0.0 111.928 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.96 143.27 40.63 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.353 1.061 . . . . 0.0 109.222 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.81 131.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.272 1.029 . . . . 0.0 108.534 -169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -132.8 126.57 32.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.601 0.761 . . . . 0.0 109.09 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt 32.47 50.1 0.18 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.071 2.148 . . . . 0.0 113.527 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -122.76 159.81 27.25 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.26 136.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.8 t -140.86 145.68 36.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.584 0.629 . . . . 0.0 110.845 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 m -136.43 112.83 9.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 46.03 56.13 6.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.279 2.232 . . . . 0.0 112.669 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.18 171.32 7.48 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.248 1.019 . . . . 0.0 110.362 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -130.67 110.46 11.39 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.4 mt -122.62 114.24 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -169.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -122.44 131.09 53.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.848 0.859 . . . . 0.0 108.914 -169.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.04 27.06 3.06 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.885 1.674 . . . . 0.0 113.678 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.5 m -115.53 163.7 15.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.588 0.755 . . . . 0.0 111.162 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -121.42 137.24 54.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.07 131.77 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -142.9 132.91 24.27 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.578 0.751 . . . . 0.0 109.187 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.8 mt 48.46 23.55 0.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.35 1.46 . . . . 0.0 114.403 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.4 m -104.79 162.03 13.66 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.972 -1.08 . . . . 0.0 110.652 -169.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.8 m -127.03 128.37 46.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.943 1.297 . . . . 0.0 107.707 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.82 129.75 50.04 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.195 0.998 . . . . 0.0 108.905 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -135.11 117.12 15.31 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.63 36.0 53.34 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.187 -0.785 . . . . 0.0 113.135 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -126.7 174.07 9.02 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.756 1.222 . . . . 0.0 109.977 -170.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -142.98 131.36 22.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -120.39 140.83 50.75 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.67 116.14 11.25 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.13 43.17 99.51 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.689 -1.062 . . . . 0.0 113.395 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -120.81 164.32 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.998 1.399 . . . . 0.0 111.318 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -120.33 125.68 48.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.385 -2.82 . . . . 0.0 103.385 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -138.05 132.21 42.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -131.76 132.11 43.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.072 0.949 . . . . 0.0 108.925 -170.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 51.86 30.97 7.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.876 1.27 . . . . 0.0 113.932 169.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -117.03 174.84 5.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.619 0.768 . . . . 0.0 111.694 -169.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -134.51 135.55 42.45 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.44 1.096 . . . . 0.0 108.117 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -134.73 131.22 37.36 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 m -132.64 126.66 33.16 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 34.83 53.79 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 117.692 -1.616 . . . . 0.0 114.448 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -134.81 149.45 50.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.664 2.232 . . . . 0.0 111.448 -169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -104.65 139.63 39.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.82 128.6 37.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.321 0 C-N-CA 124.565 1.146 . . . . 0.0 109.561 -173.418 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -139.41 126.32 20.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.294 1.438 . . . . 0.0 107.21 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -137.48 138.85 44.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -139.4 144.24 38.03 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.468 0.707 . . . . 0.0 109.996 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 p 45.78 39.13 4.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.776 2.03 . . . . 0.0 113.699 170.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -112.31 163.47 14.35 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.968 0.907 . . . . 0.0 110.568 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.1 m -129.86 129.1 43.52 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 171.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -136.4 133.39 49.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 -169.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -134.72 123.64 23.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 41.74 42.72 2.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.999 1.72 . . . . 0.0 113.92 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.41 0.01 70.72 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.447 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.2 112.9 42.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 169.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.99 132.03 45.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.608 0.64 . . . . 0.0 110.276 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -126.97 137.99 53.2 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.3 141.45 30.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -154.22 141.11 19.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.556 1.142 . . . . 0.0 109.065 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.17 21.55 73.88 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.865 -0.964 . . . . 0.0 113.993 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.73 162.86 14.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.771 1.286 . . . . 0.0 112.32 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -133.35 134.1 43.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.969 -2.234 . . . . 0.0 104.969 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.5 mp -127.77 141.01 51.7 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 m -149.13 167.39 26.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.569 1.148 . . . . 0.0 109.972 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.49 -178.5 1.78 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.173 0.589 . . . . 0.0 110.453 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.922 1.289 . . . . 0.0 108.08 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -80.52 128.73 33.93 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.586 -0.696 . . . . 0.0 109.358 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -84.85 -56.6 3.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.765 1.226 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -159.64 11.76 0.13 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.884 1.274 . . . . 0.0 111.986 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -71.08 157.38 38.28 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.939 -1.1 . . . . 0.0 110.799 -174.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -99.91 123.92 44.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 mm -124.65 120.05 57.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 -176.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -68.78 167.08 16.19 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.291 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -26.82 56.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.619 1.167 . . . . 0.0 113.812 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -110.17 -1.92 17.15 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.486 0.714 . . . . 0.0 112.176 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.4 m -79.21 167.21 21.29 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -144.26 161.19 39.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.608 0.763 . . . . 0.0 109.439 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 p -133.83 32.9 3.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.686 1.995 . . . . 0.0 111.219 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 t -48.04 119.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.145 1.778 . . . . 0.0 111.371 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt 35.87 40.05 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.535 2.334 . . . . 0.0 114.292 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -127.1 156.45 41.71 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.779 0.832 . . . . 0.0 108.989 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -93.96 142.87 26.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.23 130.88 25.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.67 85.43 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -169.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.75 44.21 28.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.057 1.743 . . . . 0.0 111.871 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 m -87.44 175.04 8.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.576 1.151 . . . . 0.0 108.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -126.21 120.9 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 30' ' ' SER . 5.8 mt -132.09 110.07 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 -174.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -119.45 124.94 47.72 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.902 1.281 . . . . 0.0 109.409 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t30 38.15 36.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.255 2.222 . . . . 0.0 113.613 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -123.01 153.14 40.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 121.881 0.848 . . . . 0.0 111.72 -169.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -119.23 91.97 3.68 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -169.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -82.33 119.92 24.75 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.57 162.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 118.815 0.734 . . . . 0.0 111.574 -171.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t0 36.38 88.32 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 128.76 2.824 . . . . 0.0 114.583 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.77 32.28 9.32 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -76.73 169.7 17.82 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.25 140.6 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.9 p -128.48 152.41 48.29 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.6 m -141.49 109.28 5.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.8 tpt85 55.11 16.24 1.51 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.995 1.318 . . . . 0.0 114.047 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -83.25 160.79 21.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.025 -1.047 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -118.07 124.7 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.899 1.68 . . . . 0.0 107.26 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -113.94 144.05 43.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -146.71 119.04 8.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 45.34 42.84 7.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.615 1.966 . . . . 0.0 113.413 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.86 9.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.343 1.457 . . . . 0.0 111.988 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.8 139.66 38.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.201 -0.937 . . . . 0.0 109.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.27 129.47 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.1 128.77 32.82 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.915 0.886 . . . . 0.0 109.711 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 30.99 52.13 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.346 2.258 . . . . 0.0 113.087 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.6 m -127.04 164.04 22.41 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.2 130.28 74.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -171.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -144.37 142.83 30.62 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.544 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -136.67 119.3 16.02 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 107.855 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 43.98 59.38 3.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.08 2.152 . . . . 0.0 112.234 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.46 168.9 9.46 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.468 0.707 . . . . 0.0 110.286 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -129.06 114.15 16.03 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.08 107.93 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.64 127.05 50.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -170.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp 50.56 31.59 5.81 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.9 1.28 . . . . 0.0 112.968 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -122.01 163.62 19.05 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.007 0.923 . . . . 0.0 110.613 -169.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.82 139.83 53.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.26 129.96 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -136.96 136.93 38.98 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.82 31.19 3.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.04 1.336 . . . . 0.0 114.177 173.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -116.25 164.23 14.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.88 1.272 . . . . 0.0 110.949 -169.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.6 m -125.48 135.76 52.65 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.46 1.104 . . . . 0.0 108.67 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 t -132.85 128.61 37.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.216 1.007 . . . . 0.0 109.263 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 m -137.72 123.55 20.03 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.24 37.82 47.88 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 123.56 0.6 . . . . 0.0 112.795 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.1 m -130.79 169.76 15.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.171 1.388 . . . . 0.0 109.301 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -136.39 146.05 46.03 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -124.72 130.8 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.9 116.08 15.2 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.81 45.62 94.67 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.8 -1.0 . . . . 0.0 113.244 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.71 160.84 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.296 1.548 . . . . 0.0 109.803 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.27 12.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 tt -117.6 134.63 60.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.93 0.892 . . . . 0.0 109.074 -171.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -138.8 139.9 38.39 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.554 0.342 . . . . 0.0 111.513 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.3 m 51.65 34.27 12.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.208 1.403 . . . . 0.0 113.084 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.3 m -122.7 179.46 4.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.008 0.923 . . . . 0.0 112.123 -169.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -146.08 137.7 24.89 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.578 -1.326 . . . . 0.0 108.697 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 p -138.25 129.04 26.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -136.58 117.91 14.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.34 45.25 96.34 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.076 -0.847 . . . . 0.0 111.831 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.474 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -140.98 114.98 9.13 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.693 1.247 . . . . 0.0 111.247 -169.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.6 m -88.35 130.62 35.1 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.9 132.46 43.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 124.456 1.102 . . . . 0.0 109.586 -174.66 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 t -132.03 140.87 49.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.005 1.322 . . . . 0.0 108.032 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.4 mt -137.84 137.44 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 m -139.32 145.4 39.02 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.044 0.538 . . . . 0.0 110.922 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p 43.64 44.48 5.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.795 1.638 . . . . 0.0 114.18 168.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.8 t -126.16 156.17 40.57 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.686 -0.634 . . . . 0.0 111.059 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.6 m -123.25 135.46 54.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.3 mt -136.75 130.19 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 m -131.81 122.85 26.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 38.96 51.75 1.9 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.769 1.628 . . . . 0.0 112.503 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.474 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.56 -7.02 70.52 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.797 -1.002 . . . . 0.0 114.343 173.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.82 109.09 23.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 119.384 1.592 . . . . 0.0 107.058 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 169.647 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.75 121.18 6.73 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.976 0.91 . . . . 0.0 110.475 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -131.63 134.19 45.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.52 136.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 -178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.8 m -141.96 123.18 14.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.495 1.118 . . . . 0.0 108.375 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.64 17.49 78.08 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.57 -1.128 . . . . 0.0 114.897 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 163.88 12.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.287 1.543 . . . . 0.0 112.469 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.3 m -137.43 143.4 41.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.587 2.755 . . . . 0.0 104.557 169.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -147.9 166.15 28.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.975 0.807 . . . . 0.0 111.995 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.1 m -144.77 141.13 28.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.996 1.719 . . . . 0.0 108.251 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.82 145.91 40.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.08 0.552 . . . . 0.0 110.343 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 C--O 1.249 1.037 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 169.234 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -140.85 129.26 22.51 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.279 0.632 . . . . 0.0 109.671 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -79.81 -67.59 0.75 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -159.16 34.11 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.213 2.205 . . . . 0.0 109.855 -175.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -79.64 160.71 26.25 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 120.78 -1.2 . . . . 0.0 110.381 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.78 132.81 43.06 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.47 111.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 169.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -70.77 169.1 15.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 111.297 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.77 46.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.111 1.364 . . . . 0.0 114.415 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -117.17 6.78 12.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.698 0.799 . . . . 0.0 111.997 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -82.55 172.05 13.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.755 -0.59 . . . . 0.0 109.623 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -141.24 154.03 45.56 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.022 0.929 . . . . 0.0 109.485 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.96 28.82 2.59 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.451 1.501 . . . . 0.0 111.618 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -56.36 130.49 19.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 124.075 0.95 . . . . 0.0 110.905 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 pttt 37.47 40.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.726 2.41 . . . . 0.0 112.961 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -132.8 167.17 20.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.159 1.384 . . . . 0.0 108.674 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -125.04 134.48 52.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.6 122.59 26.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.408 0.683 . . . . 0.0 109.355 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -114.56 96.2 5.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 40.5 48.19 2.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 -173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.1 m -85.07 174.37 9.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -133.87 112.09 11.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HB2' ' A' ' 30' ' ' SER . 33.9 mt -122.62 110.91 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -169.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -115.2 116.47 28.41 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.256 1.822 . . . . 0.0 108.495 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 41.95 34.11 0.42 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.322 1.849 . . . . 0.0 114.351 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.453 ' HB2' HG23 ' A' ' 27' ' ' ILE . 68.4 m -121.62 151.47 40.37 Favored 'General case' 0 CA--C 1.526 0.053 0 O-C-N 121.293 -0.879 . . . . 0.0 112.039 -169.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.31 93.11 4.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.78 108.04 16.57 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.61 165.62 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.341 1.428 . . . . 0.0 112.172 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 52.84 72.5 0.41 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 126.435 1.894 . . . . 0.0 113.3 172.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.25 1.1 m 50.72 36.86 15.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.336 1.854 . . . . 0.0 114.0 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -78.78 151.52 31.94 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.18 130.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -172.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -132.38 150.86 52.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.678 0.672 . . . . 0.0 110.301 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -138.62 111.42 7.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 55.98 16.21 2.07 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -85.12 154.91 21.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.339 0.972 . . . . 0.0 109.996 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -100.56 133.98 44.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.359 1.464 . . . . 0.0 107.101 170.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.69 133.05 53.34 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 169.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -139.29 117.84 12.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.61 41.88 3.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.582 1.953 . . . . 0.0 113.38 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.39 166.0 15.41 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.324 1.45 . . . . 0.0 111.884 -169.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.12 144.56 50.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.304 1.042 . . . . 0.0 109.184 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 132.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 123.977 0.911 . . . . 0.0 109.081 -169.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -130.66 125.95 35.33 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt 35.38 49.53 0.49 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.237 2.215 . . . . 0.0 113.568 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -123.36 158.46 31.02 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.76 133.18 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -172.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 t -138.96 144.08 38.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.7 m -136.51 114.94 11.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.802 1.241 . . . . 0.0 107.782 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 47.24 51.8 12.82 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.595 1.958 . . . . 0.0 112.697 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -107.44 172.51 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.587 0.755 . . . . 0.0 110.729 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -135.66 102.11 4.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.7 mt -117.6 118.46 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -168.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.06 131.95 50.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.92 0.888 . . . . 0.0 109.115 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttp 50.75 29.16 4.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.915 1.686 . . . . 0.0 113.643 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -118.11 163.48 16.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.671 0.788 . . . . 0.0 110.935 -170.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -123.38 134.86 53.95 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.49 133.92 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.604 1.162 . . . . 0.0 108.223 -168.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.44 133.79 29.82 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.1 mt 47.06 27.67 0.79 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.021 1.328 . . . . 0.0 114.298 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -109.25 162.34 14.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.54 1.136 . . . . 0.0 110.94 -169.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m -127.26 128.48 46.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.555 1.142 . . . . 0.0 108.052 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.1 t -126.58 130.64 50.91 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.08 0.952 . . . . 0.0 109.105 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.7 m -135.79 120.57 18.47 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.46 43.05 51.96 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.754 171.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -136.62 171.3 14.69 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.192 0.997 . . . . 0.0 111.077 -170.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -133.71 140.76 47.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -122.75 140.73 52.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.62 116.69 12.5 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.7 45.3 94.81 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.575 -1.125 . . . . 0.0 113.357 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.2 164.58 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 119.11 1.455 . . . . 0.0 111.453 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -123.6 119.45 29.91 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 169.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -135.76 128.21 46.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -131.36 138.84 49.33 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.775 0.43 . . . . 0.0 110.526 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 53.05 30.38 9.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.493 1.517 . . . . 0.0 113.632 171.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.2 m -117.78 175.29 5.72 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.758 0.823 . . . . 0.0 111.951 -169.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -136.74 138.14 40.66 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.439 1.096 . . . . 0.0 108.742 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 p -138.24 127.3 24.15 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.314 1.046 . . . . 0.0 108.611 -177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 m -138.32 117.75 12.88 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.25 1.02 . . . . 0.0 109.314 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.69 43.14 99.4 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 121.568 -0.708 . . . . 0.0 111.61 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -132.72 154.05 50.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.951 0.875 . . . . 0.0 111.134 -169.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -126.33 132.13 51.67 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 169.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.5 mm -127.36 130.96 70.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 -169.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.722 -0.611 . . . . 0.0 110.193 179.462 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.1 m -136.71 127.25 26.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.385 1.474 . . . . 0.0 107.557 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 mt -138.05 132.13 42.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -134.71 131.94 38.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.874 0.869 . . . . 0.0 108.96 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.255 7.6 p 48.21 32.01 2.88 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.844 1.658 . . . . 0.0 114.634 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 98.5 m -91.77 160.68 15.21 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.284 -0.885 . . . . 0.0 111.127 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.2 m -130.12 123.18 29.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.451 HG22 HG21 ' A' ' 86' ' ' THR . 7.9 mt -132.23 131.61 60.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -170.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 m -137.96 137.91 38.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -174.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 40.06 46.18 1.77 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.119 1.767 . . . . 0.0 113.66 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 86' ' ' THR . . . 86.43 1.87 85.57 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 117.509 -1.717 . . . . 0.0 115.093 172.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 p -131.73 138.39 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.443 2.122 . . . . 0.0 110.536 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 C-N-CA 123.329 0.652 . . . . 0.0 109.81 176.386 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 54.0 t -73.75 130.15 39.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.251 0.932 . . . . 0.0 109.277 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -131.01 132.32 44.9 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -143.72 146.32 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.244 1.018 . . . . 0.0 108.876 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m -157.55 146.04 19.34 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.281 1.032 . . . . 0.0 109.582 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.12 73.29 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.949 -0.917 . . . . 0.0 113.747 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 77.7 m -115.01 159.62 20.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.576 1.188 . . . . 0.0 112.059 -171.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.8 m -130.53 144.82 51.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.176 2.19 . . . . 0.0 106.256 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -129.12 143.55 50.9 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.628 1.171 . . . . 0.0 108.474 -174.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.4 m -142.32 152.01 42.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 108.876 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.38 30.51 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.464 0.706 . . . . 0.0 109.887 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 81.4 mmm . . . . . 0 C--O 1.251 1.149 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 169.276 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.538 0.502 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -80.76 121.49 25.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -78.93 -56.43 4.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.829 0.852 . . . . 0.0 109.541 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -162.53 15.54 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.049 1.339 . . . . 0.0 111.556 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -73.09 161.86 30.13 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.672 1.189 . . . . 0.0 111.055 -174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.86 135.11 49.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.435 1.494 . . . . 0.0 107.225 175.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.66 115.58 17.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -70.65 168.17 17.05 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.257 0.551 . . . . 0.0 111.579 -176.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 -27.25 61.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.93 1.292 . . . . 0.0 114.411 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -114.18 4.16 15.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.547 0.739 . . . . 0.0 111.97 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.2 m -81.73 166.13 20.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 169.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.37 150.82 39.67 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 t -133.98 124.67 26.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.14 133.9 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 pttt 38.28 44.5 0.7 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.69 2.396 . . . . 0.0 113.591 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -136.9 177.73 7.63 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.107 1.363 . . . . 0.0 108.95 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -122.16 142.77 50.07 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.47 122.23 18.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 88.49 2.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -170.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.42 51.69 16.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.456 1.902 . . . . 0.0 111.588 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.38 175.1 5.81 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.175 0.99 . . . . 0.0 109.878 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.72 122.96 24.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' A' ' 30' ' ' SER . 21.3 mt -128.67 105.83 13.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 -169.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -110.63 115.66 29.98 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 125.734 1.614 . . . . 0.0 108.353 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t30 41.3 34.62 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.221 1.808 . . . . 0.0 113.961 -171.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.1 m -120.57 158.81 26.53 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.081 0.953 . . . . 0.0 111.23 -169.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -124.91 130.75 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -129.84 115.93 17.95 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.583 1.153 . . . . 0.0 108.053 -174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -142.33 164.46 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 50.54 74.81 0.2 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 127.732 2.413 . . . . 0.0 114.728 169.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m 50.13 41.58 23.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.257 1.823 . . . . 0.0 114.302 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -78.44 157.24 29.03 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 167.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.2 mt -139.25 96.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.4 t -87.68 143.88 26.94 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -137.99 122.95 19.0 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 45.31 23.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.322 2.649 . . . . 0.0 116.165 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -99.53 162.34 13.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.951 0.796 . . . . 0.0 110.997 -171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -110.64 129.49 55.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -117.31 136.98 52.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 m -141.59 115.46 9.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 44.09 43.52 5.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.842 2.057 . . . . 0.0 113.138 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.31 169.28 11.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.033 1.333 . . . . 0.0 112.222 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -131.08 140.61 50.07 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.108 0.963 . . . . 0.0 109.209 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.49 128.34 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -136.2 130.96 33.96 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.503 0.721 . . . . 0.0 109.509 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 35.76 48.85 0.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.664 1.986 . . . . 0.0 113.091 -176.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.8 m -128.32 155.87 43.96 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.41 136.15 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 -169.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -132.68 158.37 42.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 110.988 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -148.02 112.83 5.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 169.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 49.9 59.92 4.18 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 112.571 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 m -117.39 166.75 11.95 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.793 0.837 . . . . 0.0 110.582 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -131.13 122.31 26.45 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.7 mt -129.56 101.59 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -111.92 129.03 56.31 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 46.91 36.32 3.9 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.804 1.642 . . . . 0.0 113.306 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -121.73 166.79 13.78 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.513 0.725 . . . . 0.0 111.283 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -129.03 132.4 47.48 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.42 131.53 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -169.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -139.87 132.73 29.21 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt 49.25 27.37 1.84 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.324 1.05 . . . . 0.0 113.507 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -111.95 160.54 17.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.413 1.085 . . . . 0.0 111.231 -168.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 m -124.97 129.65 50.77 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.534 1.133 . . . . 0.0 108.103 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.47 126.02 43.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.048 0.939 . . . . 0.0 108.884 -174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -132.6 119.1 20.02 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.58 39.63 60.96 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.936 -0.925 . . . . 0.0 112.631 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -133.9 163.35 29.71 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.169 0.984 . . . . 0.0 112.54 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -120.27 136.7 54.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.201 1.0 . . . . 0.0 108.887 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -118.09 134.22 55.19 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 170.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -142.09 101.74 3.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.168 0.587 . . . . 0.0 109.568 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.32 43.83 68.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.997 -0.89 . . . . 0.0 112.896 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.77 163.69 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 118.902 1.351 . . . . 0.0 111.826 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -120.1 123.92 44.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.5 tt -136.92 132.07 47.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -136.97 133.54 35.71 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.835 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.6 m 52.33 32.46 11.07 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.914 1.285 . . . . 0.0 113.285 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -121.04 175.32 6.13 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.849 0.86 . . . . 0.0 112.053 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -137.72 138.58 39.48 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.205 1.002 . . . . 0.0 108.839 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 p -137.47 132.02 32.73 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.8 m -137.51 116.63 12.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.28 1.032 . . . . 0.0 108.687 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.03 53.59 45.17 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -139.73 159.49 42.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 117.888 0.844 . . . . 0.0 111.881 -169.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 m -130.75 128.56 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.67 130.87 64.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 N--CA 1.45 -0.447 0 C-N-CA 124.432 1.093 . . . . 0.0 110.847 -173.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.8 m -143.25 127.03 17.13 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.7 mt -137.39 136.99 46.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 125.396 1.478 . . . . 0.0 107.189 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.3 m -139.03 141.74 38.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.115 0.566 . . . . 0.0 109.629 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 p 45.95 36.92 3.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.562 1.945 . . . . 0.0 114.132 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -112.29 160.94 17.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 110.351 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.2 m -128.18 135.89 50.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 mt -137.46 129.69 41.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 m -133.68 125.33 28.42 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 41.59 48.52 3.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.688 1.195 . . . . 0.0 112.173 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.531 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.05 -16.19 17.55 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-O 118.897 -0.946 . . . . 0.0 114.247 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.06 104.25 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 119.434 1.617 . . . . 0.0 107.361 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.778 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.3 t -71.49 123.84 23.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.215 0.916 . . . . 0.0 108.778 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -120.26 139.81 52.14 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.99 131.71 52.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 m -138.56 22.55 2.71 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.73 48.01 0.01 OUTLIER Glycine 0 N--CA 1.467 0.76 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.548 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.3 m -122.79 163.07 20.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.038 0.919 . . . . 0.0 112.618 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 m -128.26 141.82 51.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 169.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -147.91 166.84 26.44 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.544 0.611 . . . . 0.0 111.298 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.0 m -157.24 164.42 37.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.597 1.559 . . . . 0.0 108.96 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.87 155.89 38.28 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.756 0.422 . . . . 0.0 110.111 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.255 1.022 . . . . 0.0 108.468 169.425 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 103.253 -2.869 . . . . 0.0 103.253 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -75.06 117.09 16.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.033 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -83.92 -56.82 3.48 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -164.12 54.5 0.15 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.015 1.726 . . . . 0.0 107.35 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -123.66 169.1 11.82 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.293 1.437 . . . . 0.0 112.143 -168.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -126.41 133.73 51.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.957 1.303 . . . . 0.0 107.691 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -129.87 118.27 43.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 p -72.68 166.08 23.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.183 0.516 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -26.57 60.49 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.024 1.329 . . . . 0.0 114.394 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -115.3 3.72 14.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 111.96 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -78.53 168.76 19.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -140.11 151.11 45.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.1 t -134.62 118.02 16.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 t -130.54 120.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 50.3 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.492 2.317 . . . . 0.0 115.289 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 m -98.77 159.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.006 0.922 . . . . 0.0 110.956 -168.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -105.89 141.92 36.48 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.4 102.61 6.96 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -99.14 81.87 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 50.77 77.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.048 1.739 . . . . 0.0 111.947 -169.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -130.9 167.76 18.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.567 1.147 . . . . 0.0 109.928 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -134.41 114.97 13.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -120.67 108.69 23.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -169.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.03 117.47 33.42 Favored 'General case' 0 CA--C 1.526 0.041 0 C-N-CA 126.388 1.875 . . . . 0.0 108.563 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 40.22 33.95 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.741 2.016 . . . . 0.0 114.638 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.454 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -117.09 154.73 30.5 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.228 -0.92 . . . . 0.0 111.587 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -121.08 95.25 4.62 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -169.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.9 tp -95.57 121.53 37.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.052 1.341 . . . . 0.0 107.685 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.9 167.28 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 119.024 0.829 . . . . 0.0 112.487 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t0 53.81 61.71 2.96 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.787 2.035 . . . . 0.0 112.871 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 49.04 45.85 22.74 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -74.16 159.43 32.57 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.812 -1.922 . . . . 0.0 105.812 167.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.5 98.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.2 144.17 27.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -140.87 128.86 21.95 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 52.87 19.92 1.47 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.84 1.656 . . . . 0.0 114.62 173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 m -107.23 159.12 16.58 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.741 1.155 . . . . 0.0 113.3 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -106.38 126.74 52.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.918 1.687 . . . . 0.0 106.889 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.47 132.59 56.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 169.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.6 m -140.77 117.31 10.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 44.79 41.14 4.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.94 2.096 . . . . 0.0 113.101 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.87 171.75 8.68 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.059 1.344 . . . . 0.0 112.321 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -133.37 139.13 46.64 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.862 0.865 . . . . 0.0 108.776 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.77 127.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -132.33 127.64 36.01 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.798 0.839 . . . . 0.0 108.963 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttm 34.11 52.15 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.819 2.048 . . . . 0.0 112.656 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -127.98 160.1 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.33 136.1 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -133.42 151.89 51.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.366 0.53 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.5 m -138.9 113.24 8.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 169.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.03 65.76 1.33 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.371 1.868 . . . . 0.0 110.978 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.5 t -124.23 164.52 19.37 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.649 1.18 . . . . 0.0 109.615 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -127.35 129.09 46.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -124.15 100.18 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -109.89 128.03 55.09 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 51.02 26.45 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.803 1.641 . . . . 0.0 113.695 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -114.06 167.17 10.89 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.488 0.715 . . . . 0.0 111.499 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -126.75 127.39 44.99 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.42 132.04 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.037 0.935 . . . . 0.0 108.492 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.18 132.58 30.13 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.185 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt 48.06 32.43 2.93 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.31 0.959 . . . . 0.0 113.197 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -116.99 160.11 21.46 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.208 1.003 . . . . 0.0 110.54 -169.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.5 m -127.38 132.62 50.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 108.502 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -125.06 132.5 53.17 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.973 0.909 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -132.84 118.08 18.53 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.32 31.74 63.0 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 118.926 -0.93 . . . . 0.0 113.468 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.4 m -127.66 171.14 11.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.405 1.102 . . . . 0.0 111.121 -170.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -140.44 127.47 20.8 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.568 1.147 . . . . 0.0 107.948 -169.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -112.53 143.53 43.52 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.41 116.33 10.93 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.51 43.04 99.59 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 118.37 -1.239 . . . . 0.0 113.479 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -119.79 162.2 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 119.428 1.614 . . . . 0.0 111.198 -176.473 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -120.05 122.77 41.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.348 -2.464 . . . . 0.0 104.348 169.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -139.59 130.91 33.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 118.509 0.595 . . . . 0.0 109.525 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -131.53 146.56 52.28 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m 53.22 31.46 11.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.852 1.261 . . . . 0.0 113.17 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -123.15 175.14 6.82 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.715 0.689 . . . . 0.0 112.729 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -136.56 139.64 42.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.358 1.063 . . . . 0.0 108.437 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -135.6 131.85 36.36 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -134.33 126.08 28.93 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.629 0.772 . . . . 0.0 108.919 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.47 42.23 50.43 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 118.279 -1.29 . . . . 0.0 114.0 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -139.53 157.01 46.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.341 2.071 . . . . 0.0 111.544 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -114.62 137.93 51.29 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.38 123.15 26.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 -171.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.235 0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 111.094 -169.658 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 11.9 t . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -134.2 128.01 33.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -137.81 138.81 43.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 124.915 1.286 . . . . 0.0 107.597 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.9 m -140.53 144.44 35.95 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.649 0.379 . . . . 0.0 110.127 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 p 46.82 41.34 10.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.165 1.386 . . . . 0.0 113.757 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.8 t -125.38 164.18 20.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.256 1.023 . . . . 0.0 110.807 -170.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -126.17 137.17 53.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 169.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.66 129.63 61.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.7 m -131.96 120.58 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 41.0 46.79 2.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.394 1.478 . . . . 0.0 113.169 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.74 -0.6 86.66 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.736 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.8 t -107.99 109.57 28.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 171.241 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.353 0 CA-C-O 119.088 -0.482 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.07 120.61 15.19 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -112.29 144.25 42.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.7 tt -149.61 152.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 124.184 0.994 . . . . 0.0 110.225 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -158.31 152.62 24.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.927 1.291 . . . . 0.0 109.468 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.82 36.67 50.6 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 125.758 1.647 . . . . 0.0 114.215 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.1 t -123.98 156.99 35.42 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.105 0.953 . . . . 0.0 112.757 -169.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -132.69 139.69 47.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.441 1.896 . . . . 0.0 106.872 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.53 149.31 45.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.72 0.808 . . . . 0.0 108.913 -171.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 m -147.0 157.22 43.55 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 110.258 -173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.34 138.8 43.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 C--O 1.247 0.946 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.502 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.234 0.243 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -74.94 108.7 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -75.98 -58.03 3.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.775 0.43 . . . . 0.0 109.989 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -162.65 40.74 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.559 1.543 . . . . 0.0 109.318 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -113.86 170.21 8.43 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.478 1.911 . . . . 0.0 111.199 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -112.22 133.68 54.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 173.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 116.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 103.198 -2.89 . . . . 0.0 103.198 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.6 p -68.69 168.61 12.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 111.401 -172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.15 -27.06 52.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.568 1.147 . . . . 0.0 113.734 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -108.76 -5.79 16.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.166 0.587 . . . . 0.0 112.331 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -73.88 170.58 15.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -151.63 142.13 22.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.914 -1.116 . . . . 0.0 108.648 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.91 146.26 40.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -148.77 138.24 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -176.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 40.52 34.0 0.21 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.644 1.978 . . . . 0.0 115.349 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 m -138.03 166.05 25.07 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.231 1.812 . . . . 0.0 109.184 -171.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -126.27 136.56 52.93 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.06 126.24 42.71 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.73 86.97 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 47.37 55.28 8.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.473 1.909 . . . . 0.0 112.195 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -100.53 170.92 8.05 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.167 0.587 . . . . 0.0 109.417 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -134.05 113.52 12.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.1 mt -124.45 110.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -169.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.92 122.8 42.04 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.929 1.291 . . . . 0.0 109.023 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t30 41.02 36.85 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.769 2.028 . . . . 0.0 113.076 -169.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.428 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.6 m -127.69 170.09 13.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.908 0.883 . . . . 0.0 112.145 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -131.91 140.4 49.04 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.835 -0.541 . . . . 0.0 111.734 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.71 96.4 3.81 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.803 1.641 . . . . 0.0 107.638 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 169.16 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 57.34 53.21 7.82 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.965 1.706 . . . . 0.0 112.353 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.371 2.4 m 52.32 49.62 20.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -174.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 m -78.68 157.0 28.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.3 131.88 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -130.21 138.68 50.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -139.04 126.39 21.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 44.19 38.34 2.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.633 1.973 . . . . 0.0 115.054 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -120.33 166.13 13.93 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.919 0.888 . . . . 0.0 111.492 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -119.04 125.91 50.46 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.703 1.601 . . . . 0.0 107.633 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -115.48 134.85 54.69 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 m -140.37 116.12 10.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 45.77 39.22 4.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.135 1.774 . . . . 0.0 113.357 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.79 170.85 11.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.589 1.556 . . . . 0.0 112.107 -169.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -138.01 139.35 39.59 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.945 -1.097 . . . . 0.0 109.802 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -136.25 129.91 47.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -174.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -133.42 127.99 34.55 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.251 1.02 . . . . 0.0 108.401 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 36.81 43.71 0.3 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.879 2.072 . . . . 0.0 114.005 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -122.39 155.26 36.44 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 121.327 -0.858 . . . . 0.0 109.344 -173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 113.74 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.254 1.3 m -129.02 134.17 48.03 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -168.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -136.06 126.36 26.55 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.862 1.265 . . . . 0.0 107.805 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 47.24 61.72 2.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.531 1.533 . . . . 0.0 112.601 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.6 m -127.1 165.3 19.79 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.846 -0.534 . . . . 0.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.05 112.17 12.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.9 mt -122.24 107.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -118.07 129.78 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.82 35.53 1.51 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.281 1.832 . . . . 0.0 114.209 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.7 m -119.78 165.16 14.91 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.646 0.778 . . . . 0.0 110.74 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -124.98 140.65 52.73 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.9 t -135.62 130.95 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.75 130.27 29.59 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp 48.49 27.69 1.5 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.003 1.721 . . . . 0.0 113.521 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -107.57 164.18 12.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.917 1.287 . . . . 0.0 110.6 -169.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 m -124.55 129.25 50.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.7 t -125.78 128.11 47.2 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.259 1.024 . . . . 0.0 108.317 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -137.0 120.16 16.69 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.73 39.81 62.34 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.228 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.0 m -135.57 169.62 17.23 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.842 -169.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -133.9 141.7 47.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -124.22 132.18 53.58 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.65 97.83 3.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.152 0.581 . . . . 0.0 109.691 -175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.9 46.89 63.75 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 118.929 -0.928 . . . . 0.0 112.339 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.96 167.54 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.67 1.235 . . . . 0.0 111.354 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -126.4 123.46 37.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -137.11 132.74 47.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -134.52 133.53 40.43 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.125 0.97 . . . . 0.0 109.319 -169.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m 51.02 31.48 6.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.329 1.452 . . . . 0.0 113.676 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -117.29 175.23 5.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.946 0.898 . . . . 0.0 111.538 -169.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -135.74 134.91 39.55 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.1 p -136.98 126.15 24.62 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.2 m -137.06 117.22 13.44 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.239 1.016 . . . . 0.0 108.769 -171.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.51 46.97 93.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 121.664 -0.648 . . . . 0.0 111.482 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -138.45 142.88 39.46 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.945 0.872 . . . . 0.0 110.152 -169.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -119.95 131.67 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -134.64 132.09 54.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.45 -0.444 0 C-N-CA 125.515 1.526 . . . . 0.0 110.767 -176.79 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.7 m -139.07 123.74 18.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -136.04 133.23 50.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -137.93 137.24 37.8 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.686 0.794 . . . . 0.0 109.407 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.267 7.7 p 47.94 32.56 2.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.45 161.04 14.8 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 121.383 -0.823 . . . . 0.0 111.045 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.2 m -129.38 127.67 41.49 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 169.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.4 HG22 HG21 ' A' ' 86' ' ' THR . 5.8 mt -136.82 128.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 -170.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.2 m -137.38 134.94 36.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 44.72 44.51 7.6 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.917 1.287 . . . . 0.0 112.216 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.48 ' H ' HG22 ' A' ' 86' ' ' THR . . . 80.89 10.96 84.41 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 117.65 -1.639 . . . . 0.0 115.224 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.63 139.06 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 120.662 2.231 . . . . 0.0 110.361 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 0 C-N-CA 123.719 0.808 . . . . 0.0 110.204 176.698 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 118.937 -0.554 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.18 129.49 38.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.2 0.909 . . . . 0.0 108.961 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -129.33 126.41 38.88 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 171.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.7 tt -141.49 139.2 32.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 124.013 0.925 . . . . 0.0 109.325 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 m -149.09 145.6 27.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.781 1.232 . . . . 0.0 108.94 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.36 19.96 64.91 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.611 -1.105 . . . . 0.0 115.386 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.53 160.94 14.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 112.123 -174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -138.31 131.58 30.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 169.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.46 162.92 37.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.95 0.796 . . . . 0.0 111.713 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m -148.92 163.49 37.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.119 1.768 . . . . 0.0 108.963 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.19 156.93 38.62 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.238 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.248 0.994 0 C-N-CA 124.363 1.065 . . . . 0.0 108.858 169.386 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 105.006 -2.22 . . . . 0.0 105.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -103.82 129.89 51.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.604 0.761 . . . . 0.0 109.883 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -80.82 -63.73 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -155.76 13.52 0.34 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.203 1.801 . . . . 0.0 112.004 -170.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.405 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.3 m -65.91 160.44 23.38 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.383 1.073 . . . . 0.0 111.015 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -112.57 135.06 53.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.116 0.966 . . . . 0.0 109.261 173.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 120.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -70.4 168.43 16.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.199 0.523 . . . . 0.0 111.555 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.8 61.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.531 1.132 . . . . 0.0 113.759 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -111.07 1.59 17.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.523 0.729 . . . . 0.0 112.125 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.4 m -81.73 167.25 19.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -144.14 151.54 39.68 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.635 -0.666 . . . . 0.0 109.3 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -132.76 120.32 21.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 169.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -137.31 125.94 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -171.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? 38.71 38.73 0.28 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.736 2.015 . . . . 0.0 112.998 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -135.72 162.92 31.41 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.301 1.441 . . . . 0.0 108.704 -170.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -116.99 138.9 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -172.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.56 112.57 9.66 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -108.52 94.9 5.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.13 57.55 4.67 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.119 1.768 . . . . 0.0 112.495 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' H ' ' CB ' ' A' ' 9' ' ' SER . 23.8 m -102.1 173.6 6.31 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.735 1.214 . . . . 0.0 109.576 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -124.51 127.02 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -135.37 106.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.46 124.99 47.85 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.971 1.308 . . . . 0.0 108.357 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t30 39.19 30.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.304 2.241 . . . . 0.0 113.958 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.6 m -117.43 155.15 30.16 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.731 0.812 . . . . 0.0 111.418 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -124.32 118.82 27.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 -169.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -119.03 101.57 8.12 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.6 m -132.79 165.42 32.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.2 68.02 0.91 Allowed 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.375 1.87 . . . . 0.0 113.099 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.263 1.2 m 53.39 38.67 28.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.229 1.412 . . . . 0.0 114.185 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.3 m -76.89 155.08 33.12 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 167.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.2 129.77 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 105.515 -2.032 . . . . 0.0 105.515 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.05 149.92 50.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.42 0.554 . . . . 0.0 109.744 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.2 m -140.86 122.63 15.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 44.28 43.09 5.7 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.378 1.871 . . . . 0.0 112.82 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -122.85 164.41 18.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.931 0.892 . . . . 0.0 110.58 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -122.7 133.56 54.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.513 1.525 . . . . 0.0 108.289 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 48' ' ' VAL . 84.4 m-85 -128.24 135.33 49.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.974 1.31 . . . . 0.0 107.623 173.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 m -138.22 118.05 13.24 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t0 45.88 42.66 9.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.784 2.033 . . . . 0.0 113.589 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.69 166.05 15.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.074 1.35 . . . . 0.0 112.132 -169.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -128.19 142.27 51.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.791 0.836 . . . . 0.0 109.575 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.442 HG21 ' CE1' ' A' ' 43' ' ' TYR . 4.0 t -142.27 129.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -170.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -135.19 128.93 32.94 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 38.12 43.17 0.54 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.85 2.06 . . . . 0.0 114.005 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -119.94 153.36 36.04 Favored 'General case' 0 C--N 1.334 -0.108 0 O-C-N 121.717 -0.614 . . . . 0.0 109.35 -173.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.95 118.94 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -170.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -131.0 133.92 46.22 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -169.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 m -136.26 122.62 20.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 42.7 64.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.146 1.778 . . . . 0.0 112.978 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -124.65 165.39 17.99 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.122 0.569 . . . . 0.0 111.362 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -132.15 113.27 13.1 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.67 111.84 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.03 131.1 53.82 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.569 0.748 . . . . 0.0 109.335 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 mttm 44.31 37.17 1.85 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.172 1.789 . . . . 0.0 113.678 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -119.21 164.71 15.2 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.594 0.757 . . . . 0.0 110.349 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.35 135.66 53.5 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 174.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.36 128.26 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -169.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -137.5 129.38 28.82 Favored 'General case' 0 C--N 1.335 -0.06 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp 46.93 29.61 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.361 1.865 . . . . 0.0 113.592 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -108.06 162.92 13.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -123.04 131.25 53.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.956 1.302 . . . . 0.0 108.259 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.5 t -128.05 126.09 40.57 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.979 1.311 . . . . 0.0 108.034 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 m -137.31 119.13 15.17 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.12 43.62 50.43 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -135.09 170.99 15.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.039 1.335 . . . . 0.0 109.316 -169.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.14 146.64 40.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 121.127 -0.983 . . . . 0.0 108.394 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -124.43 132.86 53.51 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -139.62 99.89 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.9 66.58 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.725 -1.042 . . . . 0.0 112.567 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.69 165.76 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 118.967 1.384 . . . . 0.0 111.594 -176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -121.61 125.06 45.82 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -137.49 133.23 45.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -136.36 132.0 35.0 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.178 0.991 . . . . 0.0 109.209 -169.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m 51.12 30.94 6.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 113.584 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -116.77 174.11 6.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.754 0.821 . . . . 0.0 111.732 -169.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.3 m -133.46 138.33 46.13 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.88 1.272 . . . . 0.0 107.597 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 p -140.87 129.3 22.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.503 1.121 . . . . 0.0 108.001 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.12 117.22 10.57 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.765 1.226 . . . . 0.0 108.229 -172.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.12 99.73 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -136.19 104.6 5.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.363 1.081 . . . . 0.0 112.343 -168.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -84.46 128.09 34.39 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.2 mt -135.32 139.4 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.864 1.266 . . . . 0.0 107.772 -171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.451 -0.411 0 C-N-CA 126.883 2.073 . . . . 0.0 110.126 -172.832 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 120.726 0.298 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -139.07 128.69 24.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.404 1.882 . . . . 0.0 106.166 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.4 mt -137.54 131.47 44.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -137.74 136.22 37.12 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.777 0.831 . . . . 0.0 109.539 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.27 8.0 p 47.33 32.03 2.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.705 2.002 . . . . 0.0 114.582 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 99.2 m -91.73 159.97 15.58 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.3 m -130.33 120.99 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.3 mt -132.0 131.52 61.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -169.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.0 m -135.62 130.67 34.76 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 45.56 42.37 8.0 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.027 1.331 . . . . 0.0 112.85 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 77.11 15.4 81.65 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.235 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.8 t -124.86 119.17 55.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.796 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.47 129.33 38.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 119.253 0.933 . . . . 0.0 109.17 175.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -129.01 125.77 38.07 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -141.01 140.27 32.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 124.125 0.97 . . . . 0.0 109.357 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 m -149.26 145.23 26.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.528 1.131 . . . . 0.0 109.138 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 60.9 20.64 57.71 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.058 1.313 . . . . 0.0 115.926 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.59 159.72 14.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.82 1.31 . . . . 0.0 112.282 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 m -133.17 149.86 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.62 162.52 40.85 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.477 1.035 . . . . 0.0 110.794 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.9 m -139.14 12.37 2.61 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.043 0.937 . . . . 0.0 112.584 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 50.58 -144.15 0.56 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.611 1.164 . . . . 0.0 110.936 -176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.248 0.974 0 C-N-CA 127.468 2.307 . . . . 0.0 106.214 169.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.942 0.401 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.02 -168.24 34.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -74.72 44.07 0.21 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.416 1.886 . . . . 0.0 112.182 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 m -57.21 148.72 21.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.374 1.07 . . . . 0.0 110.098 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 t -121.17 61.14 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 169.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -83.58 128.01 34.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.32 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.5 p -80.59 -61.31 2.01 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.535 0.734 . . . . 0.0 109.488 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -156.58 8.47 0.21 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.01 1.724 . . . . 0.0 113.467 -169.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -69.22 167.52 16.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.91 1.284 . . . . 0.0 111.5 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -102.73 135.68 43.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.32 118.07 22.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.5 p -69.98 168.59 15.06 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.171 0.51 . . . . 0.0 111.202 -174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.75 -26.5 45.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.725 1.21 . . . . 0.0 113.749 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -111.46 -4.3 14.89 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.352 0.661 . . . . 0.0 112.434 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.1 m -73.96 171.84 12.72 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 168.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -150.87 146.36 26.27 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 121.27 -0.894 . . . . 0.0 109.71 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 p -134.78 141.33 46.42 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.675 0.79 . . . . 0.0 109.603 169.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.5 t -147.23 128.89 6.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 pttt 34.22 47.19 0.19 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 127.485 2.314 . . . . 0.0 113.407 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -141.61 156.73 45.66 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.904 1.282 . . . . 0.0 108.937 -173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -116.51 143.71 45.25 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.787 0.835 . . . . 0.0 109.165 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.69 127.96 24.28 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 m -123.85 101.12 7.1 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.378 1.071 . . . . 0.0 109.411 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 51.52 35.75 15.23 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.204 1.401 . . . . 0.0 112.776 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.9 m -83.62 170.09 14.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.103 -0.998 . . . . 0.0 109.097 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.64 100.23 4.57 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mm -110.98 109.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -119.8 123.32 43.39 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.663 1.185 . . . . 0.0 108.941 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.88 35.49 0.23 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.788 2.035 . . . . 0.0 113.419 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -124.02 167.26 14.42 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.655 0.782 . . . . 0.0 112.831 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -127.34 124.09 37.82 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.387 1.075 . . . . 0.0 108.177 -169.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -121.99 95.44 4.66 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -130.27 162.77 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t0 50.66 74.13 0.24 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.795 2.038 . . . . 0.0 113.275 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.2 m 50.95 37.71 18.26 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.42 1.888 . . . . 0.0 114.031 -176.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 m -76.3 152.9 36.3 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.4 mt -138.77 128.76 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.53 149.65 50.04 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.4 m -143.03 121.43 12.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 41.27 38.18 0.74 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.895 2.078 . . . . 0.0 114.544 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -112.98 155.65 24.42 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.555 0.742 . . . . 0.0 110.641 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -106.6 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.503 1.521 . . . . 0.0 107.091 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -117.43 135.15 54.09 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.8 m -140.11 115.86 10.21 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 46.88 39.37 7.36 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.079 1.751 . . . . 0.0 113.271 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.06 167.23 14.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.088 1.355 . . . . 0.0 112.29 -169.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -129.64 139.16 51.49 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 124.246 1.018 . . . . 0.0 109.131 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.46 135.6 46.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.85 133.0 41.04 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.382 1.073 . . . . 0.0 108.504 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttt 39.72 33.84 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 127.762 2.425 . . . . 0.0 115.626 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -110.11 161.49 15.5 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.474 -0.766 . . . . 0.0 109.318 -173.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.88 116.0 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.74 -2.318 . . . . 0.0 104.74 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.268 1.5 m -130.39 133.7 46.58 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -168.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 m -136.3 128.39 29.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.299 1.04 . . . . 0.0 108.491 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 50.33 44.57 26.57 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.206 1.802 . . . . 0.0 113.248 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.49 167.53 10.24 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 121.55 -0.719 . . . . 0.0 111.165 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -132.22 111.68 11.61 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.0 mt -122.07 104.66 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 -169.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -115.74 128.75 56.1 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.6 36.97 1.93 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 113.8 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m -118.91 167.31 11.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.479 0.712 . . . . 0.0 111.187 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.87 130.06 46.36 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.051 1.741 . . . . 0.0 106.555 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.11 134.16 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -137.98 127.31 24.66 Favored 'General case' 0 C--O 1.23 0.052 0 C-N-CA 123.227 0.611 . . . . 0.0 109.403 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 40.02 43.6 1.32 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.49 1.916 . . . . 0.0 114.011 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -115.21 161.93 17.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.068 1.347 . . . . 0.0 109.381 -171.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -122.38 95.87 4.81 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.1 t -91.74 127.99 37.41 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m -134.95 114.34 12.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.18 32.16 56.86 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.91 -0.939 . . . . 0.0 113.197 172.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -124.05 164.99 18.26 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.332 1.066 . . . . 0.0 111.907 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -120.21 136.09 54.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -119.91 131.65 55.29 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -140.63 103.0 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.59 43.67 85.01 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 118.734 -1.037 . . . . 0.0 112.751 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pt -124.44 166.42 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.089 1.444 . . . . 0.0 111.768 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -124.69 123.38 39.9 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.8 tt -139.27 134.04 40.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 118.778 0.717 . . . . 0.0 109.221 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -136.61 144.64 44.19 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 51.62 32.58 9.36 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.509 1.523 . . . . 0.0 113.332 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -120.2 174.39 6.53 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.75 0.82 . . . . 0.0 111.75 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -137.16 137.43 39.18 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.833 1.253 . . . . 0.0 107.639 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.0 p -139.84 128.6 23.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.9 m -133.24 108.94 9.08 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 123.681 0.792 . . . . 0.0 109.243 -169.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 40.68 96.89 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.398 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 103' ' ' GLY . 76.0 p -116.03 167.26 11.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.055 1.428 . . . . 0.0 111.464 -172.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.6 m -137.12 123.56 20.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.228 -2.508 . . . . 0.0 104.228 168.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.3 mt -130.4 126.14 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -168.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.2 m -139.97 166.97 23.2 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.628 1.171 . . . . 0.0 110.659 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.43 -79.27 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.7 167.37 73.94 Favored 'Cis proline' 0 CA--C 1.539 0.739 0 CA-C-N 119.791 1.795 . . . . 0.0 110.746 -10.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.35 15.71 77.77 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -172.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.406 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.2 t -60.96 143.0 56.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 171.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.7 m -135.54 129.05 32.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -137.66 135.63 46.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 m -136.87 135.68 38.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.502 0.721 . . . . 0.0 109.196 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.7 p 48.84 39.31 13.87 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.8 m -105.4 160.35 15.21 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.169 0.988 . . . . 0.0 111.285 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 84.7 m -126.85 128.07 45.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.16 132.4 46.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.4 m -133.88 126.29 30.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 39.38 48.14 1.64 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.685 1.594 . . . . 0.0 113.601 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 86' ' ' THR . . . 89.05 -2.83 84.28 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.514 -1.159 . . . . 0.0 114.136 173.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -111.94 116.75 53.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 119.382 1.591 . . . . 0.0 107.533 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.24 151.92 26.61 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.353 0.661 . . . . 0.0 109.962 173.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 p -63.31 147.07 95.58 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.642 0.777 . . . . 0.0 110.549 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -81.83 11.42 3.12 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.702 2.935 . . . . 0.0 113.624 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.13 137.92 56.68 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.082 0.953 . . . . 0.0 109.144 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.46 -18.36 61.6 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 112.458 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.08 67.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.482 0.583 . . . . 0.0 111.696 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.17 118.34 16.0 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -111.78 142.54 44.01 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.8 138.83 28.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -142.52 144.75 33.09 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.614 1.166 . . . . 0.0 108.458 170.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 56.14 27.1 51.24 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.813 1.197 . . . . 0.0 114.682 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 3.8 t -119.07 162.16 19.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.906 1.353 . . . . 0.0 112.442 -169.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.6 m -131.11 140.97 50.09 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 126.355 1.862 . . . . 0.0 107.303 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 81.1 mt -118.44 150.64 39.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.631 1.172 . . . . 0.0 108.164 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 p -154.2 160.34 41.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.147 0.979 . . . . 0.0 109.254 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.1 143.72 41.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 171.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.798 -1.096 . . . . 0.0 108.348 169.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.71 -31.48 1.49 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.346 0.974 . . . . 0.0 111.7 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m 64.41 156.38 0.08 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.235 1.814 . . . . 0.0 111.394 -174.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.79 159.9 19.03 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.724 2.01 . . . . 0.0 106.016 169.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.39 121.66 55.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -132.92 136.03 45.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.251 0.478 . . . . 0.0 110.317 -171.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.0 m -126.06 96.94 4.9 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.328 1.851 . . . . 0.0 106.356 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 t30 55.87 16.37 2.06 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.14 2.176 . . . . 0.0 116.254 174.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -74.21 159.6 32.29 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.41 -1.431 . . . . 0.0 110.321 170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -111.92 134.25 53.59 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.88 115.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 105.453 -2.054 . . . . 0.0 105.453 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 p -70.77 170.62 12.08 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.498 0.666 . . . . 0.0 111.884 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -28.69 66.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.434 1.093 . . . . 0.0 113.804 -173.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -111.72 31.17 6.37 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.036 0.934 . . . . 0.0 110.977 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.6 m -128.11 155.72 43.96 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.186 1.394 . . . . 0.0 109.096 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -148.54 153.67 38.72 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.543 0.737 . . . . 0.0 109.362 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.1 p -125.39 49.01 1.95 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.43 1.492 . . . . 0.0 109.692 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.3 t -54.19 112.51 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.966 1.706 . . . . 0.0 110.776 -169.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 59.99 -22.02 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.805 2.842 . . . . 0.0 114.838 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.7 m -60.54 155.34 18.79 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 125.398 1.479 . . . . 0.0 112.622 -174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 78.8 m -94.45 145.07 25.04 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.06 124.67 16.83 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 m -124.19 111.99 16.53 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.76 43.28 2.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.911 2.485 . . . . 0.0 113.471 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -88.01 170.92 10.69 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.481 0.713 . . . . 0.0 109.405 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -134.17 116.33 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.4 mt -124.3 108.34 20.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 -169.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -114.01 115.2 27.24 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 125.799 1.639 . . . . 0.0 108.591 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.4 t30 44.15 34.52 1.0 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.969 1.708 . . . . 0.0 113.606 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -126.05 156.35 40.08 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.225 1.01 . . . . 0.0 111.217 -169.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -129.76 134.56 47.67 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -173.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.5 tp -131.67 93.25 3.29 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 -170.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.88 176.27 3.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -167.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.4 t0 56.99 49.54 13.72 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.167 1.787 . . . . 0.0 111.594 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 57.24 44.8 21.45 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.673 1.189 . . . . 0.0 112.793 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -71.64 176.81 4.51 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 168.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.56 136.45 35.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 O-C-N 121.451 -0.781 . . . . 0.0 109.046 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 p -120.24 144.06 47.96 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -139.93 104.3 4.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 51.84 49.57 20.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.712 1.605 . . . . 0.0 111.439 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.4 m -124.75 154.4 40.95 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.945 0.898 . . . . 0.0 111.005 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -107.54 141.13 39.46 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.036 1.734 . . . . 0.0 108.326 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -138.39 129.66 27.32 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.43 114.52 8.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.6 t70 46.04 38.18 4.48 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.618 1.967 . . . . 0.0 113.939 -174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.59 16.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.347 1.459 . . . . 0.0 111.709 -169.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -128.58 140.67 51.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 123.916 0.886 . . . . 0.0 109.018 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.0 136.08 25.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -137.7 129.64 28.77 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt 37.22 48.34 0.77 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.213 2.205 . . . . 0.0 113.239 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.5 m -119.11 168.28 11.0 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.363 -0.835 . . . . 0.0 109.351 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.5 130.55 65.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 -169.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -134.71 156.51 48.68 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.598 1.09 . . . . 0.0 113.229 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.7 m -148.46 113.01 5.33 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 168.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 51.17 74.94 0.21 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.0 1.72 . . . . 0.0 112.012 -174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.7 t -124.05 158.66 31.65 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.15 0.98 . . . . 0.0 109.292 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -135.47 119.62 17.67 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 mt -125.14 104.21 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 106.403 -1.702 . . . . 0.0 106.403 -169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.21 126.87 54.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 52.09 19.99 1.18 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.168 1.787 . . . . 0.0 114.555 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.2 m -106.44 166.2 10.72 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.588 0.755 . . . . 0.0 111.074 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -128.42 120.81 27.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.0 t -127.5 135.51 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.845 0.858 . . . . 0.0 108.806 -168.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -140.31 127.28 20.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -174.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 mp 48.28 28.65 1.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.592 1.557 . . . . 0.0 113.952 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -107.96 160.56 15.68 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.325 1.05 . . . . 0.0 110.269 -169.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.2 m -123.88 128.71 49.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.685 1.194 . . . . 0.0 108.197 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 43.2 t -124.11 121.48 35.26 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.579 1.152 . . . . 0.0 109.269 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.2 m -131.64 112.16 12.33 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -176.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.15 34.28 58.49 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.447 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.2 m -128.78 174.55 9.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.313 1.056 . . . . 0.0 111.686 -169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -148.33 138.71 22.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.478 -0.764 . . . . 0.0 109.938 -169.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -125.37 139.05 54.01 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.835 1.254 . . . . 0.0 107.855 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.22 115.07 11.39 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.054 0.941 . . . . 0.0 108.956 173.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.57 44.73 95.36 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.579 1.085 . . . . 0.0 113.705 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 159.87 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 118.933 1.367 . . . . 0.0 111.475 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -111.56 124.9 53.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.14 132.19 42.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 119.603 1.092 . . . . 0.0 108.914 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -132.76 132.79 42.65 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -169.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m 50.26 32.06 5.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.789 1.235 . . . . 0.0 113.542 169.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -116.08 172.86 6.9 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.755 0.822 . . . . 0.0 111.443 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 m -134.92 134.05 40.23 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 p -134.46 128.87 34.31 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.2 m -132.17 124.62 29.42 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.64 0.776 . . . . 0.0 108.995 -172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.31 37.55 48.01 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.104 -1.387 . . . . 0.0 113.676 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -135.75 155.22 50.72 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.067 1.933 . . . . 0.0 111.039 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.8 m -116.21 144.34 44.33 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 169.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mt -138.0 129.46 38.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 m -138.91 166.89 23.28 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.167 0.987 . . . . 0.0 109.848 -174.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.32 -86.95 0.09 OUTLIER Glycine 0 CA--C 1.532 1.103 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 169.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -71.37 169.0 71.22 Favored 'Cis proline' 0 CA--C 1.541 0.827 0 CA-C-N 119.97 1.885 . . . . 0.0 111.004 -10.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.1 15.21 77.65 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.631 0.634 . . . . 0.0 111.637 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.8 t -65.24 146.56 54.79 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.405 1.082 . . . . 0.0 108.635 173.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.3 t -139.1 130.27 26.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.9 mt -138.16 139.46 42.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 125.043 1.337 . . . . 0.0 107.432 -177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.0 m -141.13 143.92 34.56 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.0 p 46.52 34.92 2.59 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.868 2.067 . . . . 0.0 114.243 169.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.7 t -108.88 163.27 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.962 0.905 . . . . 0.0 110.704 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 m -126.07 133.54 51.65 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.88 130.99 41.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -172.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 m -133.71 125.04 27.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 40.99 51.15 3.23 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.485 1.514 . . . . 0.0 113.454 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.77 4.2 87.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-O 118.449 -1.195 . . . . 0.0 113.74 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.3 t -123.97 117.79 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 119.401 1.6 . . . . 0.0 108.025 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.1 151.47 37.03 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.575 0.75 . . . . 0.0 110.118 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 17.4 p -66.32 152.14 94.81 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 122.85 0.46 . . . . 0.0 110.415 172.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -82.49 10.62 3.5 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.69 2.927 . . . . 0.0 113.361 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.58 138.57 55.2 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.049 0.94 . . . . 0.0 109.098 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -19.34 63.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.158 0.583 . . . . 0.0 112.355 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.52 -26.11 65.28 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.917 0.487 . . . . 0.0 111.682 175.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.57 126.23 29.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 118.929 0.786 . . . . 0.0 109.133 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 136.0 54.43 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 169.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.0 mt -142.55 135.6 26.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.1 m -145.48 132.13 19.92 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.842 1.257 . . . . 0.0 108.768 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.88 25.57 73.15 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 119.04 -0.866 . . . . 0.0 114.086 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.1 m -110.37 162.56 14.53 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.599 1.199 . . . . 0.0 112.084 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 m -129.15 145.68 51.25 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 126.442 1.897 . . . . 0.0 106.511 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.2 mt -129.12 146.93 50.95 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.624 1.17 . . . . 0.0 108.836 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -147.39 148.55 31.44 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 108.72 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.42 140.9 55.81 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 60.3 tpp . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 171.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.43 177.72 47.94 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -134.41 44.27 2.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.447 1.499 . . . . 0.0 107.165 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.6 p -145.08 168.58 19.98 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.207 1.403 . . . . 0.0 109.683 -169.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -80.69 69.92 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -77.5 116.07 17.78 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -79.07 -57.85 3.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.804 0.841 . . . . 0.0 110.1 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -162.04 34.28 0.12 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.07 1.348 . . . . 0.0 110.639 -171.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 m -103.79 163.99 11.98 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 125.71 1.604 . . . . 0.0 110.436 -170.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.24 132.16 55.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -128.33 122.58 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -71.13 166.65 21.0 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.965 0.802 . . . . 0.0 110.923 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -26.34 57.13 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.417 1.087 . . . . 0.0 113.729 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.47 -2.49 15.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.623 0.769 . . . . 0.0 112.275 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.0 m -72.17 172.18 10.66 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.116 0.484 . . . . 0.0 109.965 169.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -135.91 143.76 45.15 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.953 1.301 . . . . 0.0 107.792 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.21 110.98 6.5 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 104.414 -2.439 . . . . 0.0 104.414 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -140.97 124.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt 60.37 -22.41 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 128.468 2.707 . . . . 0.0 115.559 -173.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -60.97 174.69 0.59 Allowed 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.96 1.704 . . . . 0.0 113.233 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -118.77 144.36 46.33 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 169.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.29 128.93 22.96 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.67 88.51 2.9 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -172.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 46.67 51.77 11.85 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.572 1.949 . . . . 0.0 112.708 -171.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 m -90.92 171.56 9.21 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -134.65 110.38 9.25 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -116.34 109.11 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 -170.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -119.43 119.95 35.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 124.854 1.262 . . . . 0.0 108.36 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t30 39.53 38.01 0.35 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.695 1.998 . . . . 0.0 113.06 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.7 m -125.07 163.58 22.08 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 123.908 0.883 . . . . 0.0 111.855 -169.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -125.83 93.27 3.79 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.058 0.943 . . . . 0.0 108.504 -170.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.4 tp -87.64 87.78 7.48 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.87 175.11 9.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -168.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.8 66.61 0.79 Allowed 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.924 2.489 . . . . 0.0 112.657 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.59 38.79 30.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 170.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -73.21 172.79 10.47 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 169.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.5 tt -142.1 145.03 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 O-C-N 121.028 -1.045 . . . . 0.0 110.139 169.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.2 p -136.42 152.43 50.59 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.928 0.491 . . . . 0.0 109.854 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.6 m -141.58 106.31 4.9 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.3 ttp85 46.38 39.12 6.03 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.536 1.535 . . . . 0.0 113.138 -175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -102.74 160.0 14.98 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.127 0.571 . . . . 0.0 109.865 172.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -114.83 132.57 56.45 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 125.694 1.597 . . . . 0.0 107.297 178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 48' ' ' VAL . 64.3 m-85 -123.48 132.01 53.8 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.3 m -137.06 116.06 12.37 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 46.54 42.4 11.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.561 1.944 . . . . 0.0 112.654 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.96 169.88 12.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.64 1.576 . . . . 0.0 112.398 -169.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -133.03 143.98 49.75 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.23 1.012 . . . . 0.0 109.317 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 43' ' ' TYR . 1.8 t -141.2 131.64 26.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 124.854 1.262 . . . . 0.0 108.004 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -139.24 117.27 11.74 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 107.637 -1.245 . . . . 0.0 107.637 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.0 tttt 34.87 52.72 0.61 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.466 1.906 . . . . 0.0 113.093 -177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -123.0 164.76 17.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 90.3 t -122.89 134.35 66.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t -145.17 146.25 31.68 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.306 -0.957 . . . . 0.0 112.803 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.4 m -136.86 128.81 29.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.759 1.223 . . . . 0.0 107.732 169.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.4 t0 46.35 59.2 3.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.491 1.916 . . . . 0.0 112.823 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.7 t -126.34 161.09 28.63 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.61 1.164 . . . . 0.0 108.603 -171.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -128.93 129.61 45.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.77 112.67 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 -174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.91 127.51 54.32 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.941 0.896 . . . . 0.0 108.958 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 43.54 43.94 4.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.5 1.52 . . . . 0.0 113.269 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.8 m -127.24 165.77 19.01 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.749 0.82 . . . . 0.0 110.256 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -125.7 136.76 53.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 173.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -132.74 130.22 58.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 -168.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -138.95 131.9 29.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.206 1.003 . . . . 0.0 108.629 -176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt 47.12 25.53 0.53 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.009 1.324 . . . . 0.0 114.093 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.161 0.984 . . . . 0.0 110.778 -169.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.7 m -127.26 128.5 46.11 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.739 1.216 . . . . 0.0 108.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 71' ' ' SER . 42.3 t -120.36 134.82 55.2 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.999 0.92 . . . . 0.0 109.609 176.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 m -134.79 121.92 21.37 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.24 35.3 64.74 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.832 -0.982 . . . . 0.0 113.797 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 50.7 m -131.49 174.52 10.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.555 1.177 . . . . 0.0 111.321 -170.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.36 130.63 35.26 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -169.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.7 m-30 -121.64 132.49 54.69 Favored 'General case' 0 N--CA 1.46 0.059 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.77 124.93 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 170.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.26 39.54 97.35 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.852 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -119.43 161.96 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.843 1.321 . . . . 0.0 111.658 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -124.36 117.07 23.65 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 103.053 -2.943 . . . . 0.0 103.053 169.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -132.12 131.22 61.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -172.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -133.26 130.89 39.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.746 0.818 . . . . 0.0 108.915 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m 52.41 32.53 11.38 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.731 1.213 . . . . 0.0 113.388 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -119.67 174.49 6.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.947 0.899 . . . . 0.0 111.36 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.2 m -135.79 140.02 43.95 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -133.37 140.75 47.55 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.0 m -144.92 125.94 14.53 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.37 47.21 56.88 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-O 119.051 -0.861 . . . . 0.0 112.653 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.6 t -144.49 166.02 26.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.913 1.857 . . . . 0.0 110.166 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.1 m -129.72 133.35 46.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.8 mm -127.53 136.11 61.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 105.709 -1.959 . . . . 0.0 105.709 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.7 m -138.36 163.59 31.47 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.422 1.089 . . . . 0.0 110.34 -171.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -151.53 -137.02 2.56 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.927 1.727 . . . . 0.0 108.85 -174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.16 166.18 82.3 Favored 'Cis proline' 0 CA--C 1.536 0.596 0 CA-C-N 120.605 2.202 . . . . 0.0 112.454 2.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.59 10.66 63.17 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.066 0.841 . . . . 0.0 112.356 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.59 141.12 44.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.77 0.785 . . . . 0.0 109.354 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.9 m -139.99 127.55 21.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.654 1.582 . . . . 0.0 107.334 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.9 mt -138.25 134.3 44.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 125.411 1.485 . . . . 0.0 107.233 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.5 m -139.02 138.32 37.1 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.771 0.828 . . . . 0.0 109.755 171.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.269 6.1 p 46.93 36.56 4.1 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.621 1.968 . . . . 0.0 114.5 174.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 89.7 m -100.52 162.74 12.73 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.161 0.985 . . . . 0.0 110.937 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.5 m -129.5 131.35 46.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 168.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -135.15 125.56 44.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.7 m -134.74 127.35 30.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 43.95 46.62 6.91 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.407 1.083 . . . . 0.0 112.136 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.84 81.02 Favored Glycine 0 CA--C 1.529 0.969 0 CA-C-O 118.797 -1.002 . . . . 0.0 113.883 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.6 t -123.91 114.69 42.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.53 146.72 38.22 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 170.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.9 p -62.56 127.9 90.79 Favored Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 123.856 0.862 . . . . 0.0 109.777 174.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.48 12.18 0.1 Allowed 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 124.145 3.23 . . . . 0.0 116.157 174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.88 141.67 56.33 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.314 1.046 . . . . 0.0 109.359 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.13 -20.0 63.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.164 0.586 . . . . 0.0 112.444 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.46 -27.21 67.63 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.129 0.572 . . . . 0.0 111.825 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -74.34 130.68 40.14 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 119.257 0.935 . . . . 0.0 108.942 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -130.23 130.57 44.78 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -142.51 146.43 22.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 C-N-CA 124.401 1.081 . . . . 0.0 108.857 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.8 m -157.69 147.74 20.47 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.497 1.119 . . . . 0.0 109.341 172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.71 20.27 70.05 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.039 -0.867 . . . . 0.0 114.288 171.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.8 m -110.2 158.55 18.24 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.723 1.262 . . . . 0.0 111.785 -172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.9 m -132.9 140.46 47.89 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 104.699 -2.334 . . . . 0.0 104.699 169.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -147.27 163.78 35.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.935 0.789 . . . . 0.0 112.002 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.1 m -150.38 161.14 43.06 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.585 1.554 . . . . 0.0 109.774 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.04 143.74 35.33 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 C--O 1.248 1.002 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 169.153 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.678 0.275 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.48 -179.33 46.75 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 p -139.89 159.29 42.52 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.443 1.497 . . . . 0.0 108.359 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 m -149.78 162.41 40.32 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.33 1.452 . . . . 0.0 109.675 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -80.44 76.31 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -73.56 112.69 9.89 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 m -82.07 -56.51 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -163.0 53.05 0.18 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.854 1.662 . . . . 0.0 107.652 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -119.97 166.31 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.711 1.604 . . . . 0.0 111.89 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -126.95 137.85 53.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.984 1.314 . . . . 0.0 108.139 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -135.76 116.4 18.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -69.07 164.34 22.68 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.258 0.552 . . . . 0.0 111.058 -177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.38 59.25 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -112.12 -1.67 15.22 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.454 0.702 . . . . 0.0 112.222 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.9 m -73.29 172.78 10.55 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.366 0.666 . . . . 0.0 110.286 169.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -140.11 147.21 39.89 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 173.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.1 t -134.83 128.94 33.69 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 169.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 t -141.4 125.69 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt 34.19 50.79 0.39 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 127.48 2.312 . . . . 0.0 113.724 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.4 m -134.38 171.34 14.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.003 1.321 . . . . 0.0 108.576 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.7 m -124.58 136.5 54.01 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 107.48 8.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -99.56 75.68 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.19 78.1 0.24 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 125.342 1.457 . . . . 0.0 110.73 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.6 m -123.08 167.48 13.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.683 0.793 . . . . 0.0 109.056 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -132.03 135.46 46.53 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG23 ' HB2' ' A' ' 30' ' ' SER . 32.9 mt -137.13 107.41 5.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -169.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.45 114.07 26.05 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 126.153 1.781 . . . . 0.0 108.17 -176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t30 40.59 40.21 0.87 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.084 1.754 . . . . 0.0 113.664 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.452 ' HB2' HG23 ' A' ' 27' ' ' ILE . 71.7 m -125.67 167.74 14.7 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.204 1.001 . . . . 0.0 111.646 -169.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -129.81 115.81 17.81 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -169.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 tp -116.45 97.93 6.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.9 m -127.33 165.49 26.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.2 t0 37.5 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 128.227 2.611 . . . . 0.0 114.638 177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m 51.22 30.55 5.88 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.498 1.519 . . . . 0.0 113.195 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.7 m -74.24 144.97 44.45 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.9 120.17 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 104.06 -2.57 . . . . 0.0 104.06 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.8 p -128.03 155.05 44.94 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.7 m -144.78 132.46 21.07 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 105.906 -1.886 . . . . 0.0 105.906 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 50.81 25.31 2.08 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.772 1.629 . . . . 0.0 113.807 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.0 m -111.22 162.48 14.92 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 121.151 -0.968 . . . . 0.0 112.846 -169.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.99 137.81 54.24 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.832 1.653 . . . . 0.0 107.739 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.26 127.55 33.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.2 m -134.35 120.42 19.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 43.57 41.39 3.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.594 -175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.14 164.08 18.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.082 1.353 . . . . 0.0 112.164 -169.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -125.05 141.51 52.08 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.516 1.126 . . . . 0.0 108.421 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.56 133.36 24.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -139.4 135.88 34.13 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.508 1.123 . . . . 0.0 108.272 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 39.02 36.8 0.17 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.54 1.936 . . . . 0.0 115.026 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 p -68.13 162.69 24.19 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.944 -1.098 . . . . 0.0 111.843 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.41 84.06 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 102.436 -3.172 . . . . 0.0 102.436 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.269 1.3 m -118.47 138.2 52.65 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 123.61 0.764 . . . . 0.0 109.805 -167.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.7 m -136.65 126.24 25.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.1 t70 49.56 50.05 18.89 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.446 1.898 . . . . 0.0 113.285 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 74.5 m -116.83 163.6 15.93 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 121.576 -0.702 . . . . 0.0 111.566 -175.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -131.28 106.3 8.21 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -120.12 118.27 56.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -168.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -126.93 132.42 50.87 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.745 0.818 . . . . 0.0 109.572 -169.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt 48.03 31.08 2.28 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.933 1.693 . . . . 0.0 113.685 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.1 m -116.37 168.63 9.97 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.428 0.691 . . . . 0.0 111.659 -169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -128.58 126.44 40.29 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.45 129.64 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -169.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.52 123.7 21.74 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.44 31.32 2.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.218 1.807 . . . . 0.0 113.343 174.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -109.72 152.31 25.8 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.403 1.081 . . . . 0.0 110.073 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.9 m -110.73 136.49 49.73 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.317 1.447 . . . . 0.0 107.907 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 33.2 t -136.57 133.25 36.19 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 m -137.65 115.57 11.53 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.38 38.71 63.06 Favored Glycine 0 CA--C 1.53 1.018 0 CA-C-O 118.924 -0.931 . . . . 0.0 112.779 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.5 m -130.99 169.75 15.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.241 1.021 . . . . 0.0 111.623 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -128.59 140.14 51.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -119.9 140.36 50.99 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 170.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -138.83 117.38 12.12 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 170.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 44.15 98.01 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 118.678 -1.068 . . . . 0.0 113.253 174.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -118.93 163.58 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 118.904 1.352 . . . . 0.0 111.089 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -129.37 113.57 15.11 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.843 -2.651 . . . . 0.0 103.843 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -133.25 134.93 57.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 118.634 0.652 . . . . 0.0 109.892 -169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -132.77 134.57 44.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.214 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 49.22 33.42 5.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.895 1.278 . . . . 0.0 113.775 169.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -116.93 175.49 5.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.734 0.814 . . . . 0.0 111.587 -169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.7 m -134.19 141.55 47.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.535 1.134 . . . . 0.0 108.405 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -139.0 143.21 38.38 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.037 1.335 . . . . 0.0 107.61 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.3 m -153.16 120.06 5.73 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.228 1.011 . . . . 0.0 109.047 -176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.49 41.43 88.54 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.654 0.645 . . . . 0.0 111.595 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.44 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -122.12 162.67 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 124.958 1.303 . . . . 0.0 111.906 -169.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 m -136.61 123.53 21.41 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 168.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -122.81 127.23 74.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.5 m -138.85 166.85 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.7 0.8 . . . . 0.0 109.9 -173.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.02 -85.43 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 N-CA-C 108.376 -1.89 . . . . 0.0 108.376 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.42 169.5 69.13 Favored 'Cis proline' 0 CA--C 1.54 0.787 0 CA-C-N 119.828 1.814 . . . . 0.0 110.819 -10.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.38 21.86 68.92 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.54 144.39 53.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -137.34 126.12 23.98 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.49 1.516 . . . . 0.0 107.257 -175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.0 mt -137.82 136.02 45.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.5 m -136.38 143.53 44.08 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.8 p 43.82 43.14 4.92 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.471 1.908 . . . . 0.0 113.794 169.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.5 t -117.49 165.52 13.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.148 0.979 . . . . 0.0 110.393 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.2 m -129.24 131.21 47.0 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.1 mt -133.94 142.66 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.0 m -147.89 136.45 21.67 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 37.5 50.06 1.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.756 1.623 . . . . 0.0 113.419 -176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 78.78 6.03 88.51 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.315 -1.269 . . . . 0.0 114.546 173.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.88 122.99 70.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 119.565 1.682 . . . . 0.0 107.573 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.18 140.39 48.73 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.3 m -78.67 129.54 73.7 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.95 110.97 0.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.913 2.409 . . . . 0.0 110.672 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -157.98 136.91 11.47 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 173.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.9 -26.31 68.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.785 0.434 . . . . 0.0 112.022 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.91 -26.73 64.29 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.723 -0.656 . . . . 0.0 112.174 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.81 128.73 36.99 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.952 0.797 . . . . 0.0 108.904 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -132.97 135.12 45.31 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.6 tt -145.18 147.7 18.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 124.561 1.144 . . . . 0.0 109.099 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.2 m -158.61 146.88 18.38 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.751 1.221 . . . . 0.0 109.464 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 66.6 23.53 72.19 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.156 -0.802 . . . . 0.0 114.076 171.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.08 160.48 18.12 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.519 1.16 . . . . 0.0 112.035 -171.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 m -130.52 142.12 50.48 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.848 2.059 . . . . 0.0 105.797 169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.5 mt -128.74 139.17 52.34 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.7 m -143.13 153.38 42.83 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.589 1.156 . . . . 0.0 108.803 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.08 143.74 43.27 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 169.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.868 -1.063 . . . . 0.0 108.583 171.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.79 174.99 42.81 Favored Glycine 0 CA--C 1.525 0.67 0 O-C-N 121.779 -0.576 . . . . 0.0 113.527 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.3 p -138.5 6.9 2.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.51 1.924 . . . . 0.0 111.016 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.05 154.55 12.5 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.81 78.15 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 168.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -73.86 98.42 2.98 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -66.42 -55.5 15.47 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -170.25 81.75 0.1 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.031 1.732 . . . . 0.0 107.937 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -145.36 168.59 20.13 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.371 1.468 . . . . 0.0 110.234 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -121.42 134.41 55.09 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.043 1.337 . . . . 0.0 108.2 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mt -130.74 119.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 p -69.96 164.89 22.9 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.293 0.568 . . . . 0.0 111.367 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -26.98 58.36 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.968 1.307 . . . . 0.0 114.304 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -113.8 1.18 14.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.59 0.756 . . . . 0.0 112.207 -176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 m -74.37 174.8 8.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.089 0.556 . . . . 0.0 109.787 169.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -142.51 144.02 32.79 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.2 t -138.95 106.66 5.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.01 131.63 71.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 118.899 0.772 . . . . 0.0 109.347 -169.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt 36.04 43.37 0.2 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 127.477 2.311 . . . . 0.0 114.262 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 m -135.31 173.76 11.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.399 1.48 . . . . 0.0 108.33 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.6 m -113.1 144.37 42.75 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.73 117.78 10.61 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.658 0.663 . . . . 0.0 109.864 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.1 m -128.61 121.91 29.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.368 0.667 . . . . 0.0 110.197 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.88 54.87 9.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.375 1.87 . . . . 0.0 111.153 -175.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.3 m -126.76 163.03 24.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.317 0.579 . . . . 0.0 111.745 -172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -137.7 118.34 13.98 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 30' ' ' SER . 4.5 mp -123.37 105.75 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -170.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.77 116.86 31.4 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 126.125 1.77 . . . . 0.0 108.467 -174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t30 39.82 35.6 0.23 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.309 1.844 . . . . 0.0 114.299 -171.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 27' ' ' ILE . 72.2 m -119.72 161.21 21.11 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.293 1.037 . . . . 0.0 111.697 -169.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -126.61 100.29 6.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.469 1.107 . . . . 0.0 108.368 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.54 121.85 37.66 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.12 160.7 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 118.883 0.765 . . . . 0.0 112.387 -169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.43 77.82 0.1 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 127.75 2.42 . . . . 0.0 114.556 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 51.57 36.96 18.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.895 1.678 . . . . 0.0 113.742 174.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -79.06 171.36 15.31 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 tt -141.19 131.81 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.3 t -107.31 131.01 54.69 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -137.49 120.06 16.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 52.28 31.22 8.99 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.792 1.237 . . . . 0.0 112.527 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -120.81 166.21 14.08 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.796 0.807 . . . . 0.0 112.048 -169.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -126.7 132.07 51.23 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.911 1.285 . . . . 0.0 108.377 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -122.41 134.71 54.61 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 m -139.27 117.6 11.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.751 1.22 . . . . 0.0 108.191 -175.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.13 41.32 2.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.75 2.02 . . . . 0.0 113.248 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.19 168.26 14.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.045 1.338 . . . . 0.0 111.828 -169.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -132.47 139.06 47.81 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 123.49 0.716 . . . . 0.0 109.8 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.5 t -135.96 126.59 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -135.63 124.23 23.66 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -169.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 34.92 48.52 0.33 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.716 2.007 . . . . 0.0 113.141 -172.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -125.57 158.86 33.53 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.9 t -117.63 133.01 65.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 -170.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -130.45 147.42 52.15 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.215 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -145.73 114.1 6.68 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.15 71.9 0.4 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.231 1.413 . . . . 0.0 111.769 -174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 12.1 t -127.26 154.87 44.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 109.035 -174.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -135.78 112.39 10.05 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.2 mt -121.18 110.92 29.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 -169.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -117.97 127.9 54.28 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mttp 50.16 35.78 10.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.688 1.595 . . . . 0.0 113.342 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -123.63 164.95 18.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.627 0.771 . . . . 0.0 111.129 -172.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -126.55 133.13 51.18 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.82 129.63 51.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 124.254 1.022 . . . . 0.0 108.529 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -135.46 131.61 36.37 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.297 0.639 . . . . 0.0 109.624 -177.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mp 45.59 37.28 3.07 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.384 1.474 . . . . 0.0 112.85 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -118.82 159.73 23.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.45 1.1 . . . . 0.0 110.466 -169.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -126.47 106.65 9.61 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.708 1.203 . . . . 0.0 108.467 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.0 t -96.7 123.06 40.28 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.19 0.996 . . . . 0.0 108.808 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 m -132.63 116.17 16.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.03 42.31 39.11 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 m -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.529 1.132 . . . . 0.0 109.274 -169.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -138.37 145.33 40.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -128.17 124.28 36.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -136.51 99.37 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.24 47.27 65.0 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 118.815 -0.992 . . . . 0.0 112.246 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 pt -128.09 166.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.684 1.242 . . . . 0.0 111.804 -175.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -123.8 127.19 47.73 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.7 tt -141.39 133.68 29.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-N 118.617 0.644 . . . . 0.0 109.55 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -134.33 148.25 50.71 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.6 m 52.62 29.94 7.96 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.114 1.366 . . . . 0.0 113.316 169.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -122.16 172.83 7.98 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.896 0.771 . . . . 0.0 112.653 -169.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.4 m -137.05 138.04 40.01 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.8 p -137.3 129.85 29.94 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -135.44 112.59 10.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.517 1.127 . . . . 0.0 108.714 -171.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.97 95.1 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.491 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.7 OUTLIER -139.55 105.98 5.3 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.28 1.04 . . . . 0.0 112.775 -168.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -82.53 133.02 35.19 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 168.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -136.72 135.24 48.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.5 m -133.6 166.33 22.83 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.432 1.493 . . . . 0.0 110.535 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.95 -147.47 0.03 OUTLIER Glycine 0 CA--C 1.541 1.691 0 C-N-CA 127.613 2.53 . . . . 0.0 113.989 173.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.3 -13.34 31.58 Favored 'Cis proline' 0 CA--C 1.538 0.682 0 CA-C-N 119.63 1.715 . . . . 0.0 115.102 10.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.25 42.64 0.93 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 47.6 t -71.15 132.96 45.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.641 0.776 . . . . 0.0 111.294 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -137.59 125.89 23.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 126.915 2.086 . . . . 0.0 105.872 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.25 139.51 49.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.0 m -146.47 142.61 28.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.687 -0.633 . . . . 0.0 110.601 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 p 47.28 38.09 6.69 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.85 1.66 . . . . 0.0 113.512 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 16.4 t -119.42 158.79 25.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.128 0.971 . . . . 0.0 110.451 -172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -123.95 135.87 53.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 169.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -137.49 133.24 45.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -175.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.3 m -134.67 129.57 35.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 45.16 39.75 4.29 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.548 1.539 . . . . 0.0 114.02 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 85.63 9.17 79.05 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.592 -1.115 . . . . 0.0 114.066 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.18 118.81 55.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.245 1.522 . . . . 0.0 107.442 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.67 152.62 33.68 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.588 0.755 . . . . 0.0 110.201 174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.3 p -64.22 148.37 95.82 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.216 0.606 . . . . 0.0 110.146 170.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -81.23 8.85 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.492 2.795 . . . . 0.0 113.814 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.68 137.94 55.93 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.209 1.004 . . . . 0.0 109.195 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.67 -18.08 61.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.245 0.618 . . . . 0.0 112.361 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.87 -26.38 65.99 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.785 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.5 t -68.07 132.95 48.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 118.937 0.79 . . . . 0.0 109.291 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -131.82 133.97 45.27 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 169.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.6 mt -141.59 131.28 24.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -146.47 139.43 25.5 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 124.429 1.091 . . . . 0.0 108.334 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.66 17.06 64.28 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 118.837 -0.98 . . . . 0.0 114.857 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 62.2 m -101.25 162.76 12.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 118.58 1.19 . . . . 0.0 112.209 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -133.49 143.23 48.67 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.73 152.94 49.53 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 m -135.23 12.79 3.55 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.917 0.887 . . . . 0.0 112.145 -175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.89 -144.64 0.42 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.102 1.361 . . . . 0.0 111.05 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 35.1 ttm . . . . . 0 C--O 1.249 1.039 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 171.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.999 0.428 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.11 175.59 47.45 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -157.07 -178.97 7.76 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.956 1.302 . . . . 0.0 107.878 178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.5 m -135.19 172.61 12.77 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.62 1.568 . . . . 0.0 109.41 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -122.65 52.24 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 169.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -69.32 113.17 6.4 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.9 m -85.04 -48.76 8.9 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.428 0.691 . . . . 0.0 109.833 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -162.31 28.2 0.11 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.647 0.779 . . . . 0.0 111.86 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -100.28 166.45 10.97 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.862 1.265 . . . . 0.0 111.096 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -113.46 120.9 42.64 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.885 0.874 . . . . 0.0 108.856 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mm -118.29 117.73 55.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.257 -2.497 . . . . 0.0 104.257 -174.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -69.75 168.76 14.33 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.44 0.638 . . . . 0.0 112.078 -174.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.99 65.33 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.459 1.104 . . . . 0.0 113.746 -173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -111.74 26.7 10.37 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.05 0.94 . . . . 0.0 111.142 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.4 m -121.99 160.15 25.5 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.358 1.463 . . . . 0.0 109.398 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -143.93 153.2 42.04 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.769 0.828 . . . . 0.0 109.335 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 p -133.03 24.88 4.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.437 1.895 . . . . 0.0 111.321 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.07 129.35 13.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.64 1.176 . . . . 0.0 111.866 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt 55.15 6.56 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.137 2.175 . . . . 0.0 114.093 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -112.43 154.08 26.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.543 1.065 . . . . 0.0 111.865 -168.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.8 m -94.6 140.49 29.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.92 116.95 17.09 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.23 91.96 3.83 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -170.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 45.37 56.29 5.78 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.126 2.17 . . . . 0.0 113.737 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.32 172.35 6.85 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.913 1.285 . . . . 0.0 109.927 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.38 120.32 25.34 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 169.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 30' ' ' SER . 9.5 mt -120.33 106.47 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 -173.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -110.9 114.23 27.4 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.888 1.675 . . . . 0.0 108.84 -171.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 t30 42.64 37.67 1.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.798 1.639 . . . . 0.0 112.759 -170.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -127.29 160.68 30.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.424 1.09 . . . . 0.0 111.169 -169.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -125.47 136.46 53.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 tp -132.56 109.05 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.5 m -139.4 164.12 24.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -169.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t0 53.31 65.27 1.56 Allowed 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 126.898 2.079 . . . . 0.0 112.441 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.265 1.3 m 48.44 46.27 20.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 115.265 1.579 . . . . 0.0 115.265 -175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.6 m -76.48 162.82 27.51 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 166.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.1 mt -139.4 100.45 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 48.7 t -86.01 140.63 30.12 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.95 117.39 13.72 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 173.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 42.36 35.38 0.62 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.586 2.354 . . . . 0.0 114.649 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.6 m -109.16 164.5 12.38 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.887 0.875 . . . . 0.0 110.589 -174.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -111.89 123.81 51.03 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.658 1.583 . . . . 0.0 106.913 175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -114.92 136.07 53.52 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -141.6 116.99 10.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 44.65 40.07 3.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.674 1.99 . . . . 0.0 113.846 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.4 170.49 10.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.232 1.413 . . . . 0.0 112.363 -169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -133.83 140.15 46.71 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.988 0.915 . . . . 0.0 109.826 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 124.6 28.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.883 1.673 . . . . 0.0 106.616 -175.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.32 126.02 27.18 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.416 0.686 . . . . 0.0 109.428 -172.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.2 tttt 33.41 50.11 0.26 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.376 1.871 . . . . 0.0 112.634 -170.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.21 158.36 39.94 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.8 t -116.74 140.18 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.5 p -131.07 145.3 51.96 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 m -136.89 116.69 13.09 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 49.91 50.91 17.6 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.389 1.476 . . . . 0.0 112.456 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 37.0 m -110.18 164.56 12.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.327 0.651 . . . . 0.0 110.213 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -130.81 112.47 13.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 104.212 -2.514 . . . . 0.0 104.212 174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.4 mt -121.77 109.38 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 -169.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -120.86 125.81 48.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -169.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 50.47 26.98 2.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.922 1.289 . . . . 0.0 113.806 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -116.16 166.88 11.52 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.744 0.817 . . . . 0.0 111.167 -169.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -130.04 131.42 45.81 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.8 t -134.19 129.67 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -169.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.68 135.75 35.13 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.267 0.627 . . . . 0.0 109.983 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt 47.12 28.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.386 1.074 . . . . 0.0 113.881 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -114.06 159.83 19.57 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.903 -1.123 . . . . 0.0 111.316 -169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -123.47 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.2 t -82.9 129.73 35.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.23 119.94 18.3 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 45.83 47.13 13.97 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.91 -0.939 . . . . 0.0 112.636 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 m -132.48 159.03 40.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 118.475 1.137 . . . . 0.0 110.522 -169.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -117.88 122.78 44.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -113.65 128.28 56.37 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -137.1 110.01 7.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.829 1.195 . . . . 0.0 109.562 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.43 38.95 97.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 118.603 -1.109 . . . . 0.0 113.031 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.5 pp -123.59 166.68 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.21 1.505 . . . . 0.0 111.33 -174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -126.74 129.15 47.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.7 tt -140.74 133.85 32.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -136.21 140.32 43.44 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.76 0.424 . . . . 0.0 110.958 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m 52.23 33.44 12.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.611 1.564 . . . . 0.0 113.442 173.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m -122.88 175.53 6.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.913 0.885 . . . . 0.0 112.112 -169.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.3 m -136.84 143.23 42.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.5 p -133.88 153.73 51.55 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.0 m -156.63 109.75 2.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.137 -0.977 . . . . 0.0 109.263 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.21 49.74 60.19 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.495 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -138.05 129.15 27.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.415 0.608 . . . . 0.0 111.578 -168.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.7 m -95.9 134.44 38.9 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.0 mt -139.37 121.15 16.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.4 p -145.38 172.16 13.57 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.902 0.881 . . . . 0.0 110.569 -173.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.52 -75.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 170.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.14 171.21 63.9 Favored 'Cis proline' 0 CA--C 1.539 0.764 0 CA-C-N 119.693 1.746 . . . . 0.0 110.897 -10.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.3 14.81 70.55 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 123.88 0.753 . . . . 0.0 111.816 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.628 ' HB3' HG22 ' A' ' 76' ' ' ILE . 4.6 t -65.46 148.65 51.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.68 0.792 . . . . 0.0 109.771 173.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.4 m -134.78 131.85 38.01 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 125.674 1.589 . . . . 0.0 107.088 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 79.4 mt -134.5 132.46 54.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.1 m -134.81 132.22 38.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.091 0.956 . . . . 0.0 108.858 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.254 2.8 p 48.88 36.92 9.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.173 1.389 . . . . 0.0 114.063 170.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.22 162.28 13.04 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.393 1.077 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 91.2 m -127.34 128.17 45.46 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 168.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 86' ' ' THR . 5.6 mt -133.94 136.94 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -171.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -150.46 134.87 17.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 42.63 46.71 4.38 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.467 1.507 . . . . 0.0 112.455 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.495 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.96 4.21 88.7 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.075 -1.403 . . . . 0.0 114.649 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.2 t -126.58 127.93 70.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 119.969 1.885 . . . . 0.0 108.38 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.52 152.51 22.15 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.791 0.836 . . . . 0.0 109.853 173.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 p -63.31 147.34 95.13 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.3 0.64 . . . . 0.0 110.702 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -83.13 7.74 5.03 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.609 2.872 . . . . 0.0 113.415 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.77 142.25 57.44 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.316 1.046 . . . . 0.0 109.678 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.21 59.18 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.41 0.684 . . . . 0.0 112.513 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.38 79.26 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.726 -0.609 . . . . 0.0 110.873 173.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -76.3 126.09 30.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 118.417 0.553 . . . . 0.0 109.758 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -125.22 136.8 53.92 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 169.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.7 tt -141.46 149.58 20.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.706 1.202 . . . . 0.0 108.363 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.9 m -155.12 152.34 29.37 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.194 0.998 . . . . 0.0 109.68 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.0 35.66 54.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.37 1.462 . . . . 0.0 113.382 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.34 161.32 24.92 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.171 0.986 . . . . 0.0 113.108 -169.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.8 m -131.26 140.63 49.86 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.923 2.089 . . . . 0.0 106.334 169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -129.08 142.71 50.81 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 m -141.39 150.96 43.05 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 123.794 0.838 . . . . 0.0 108.957 173.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.78 168.94 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.601 0.715 . . . . 0.0 111.046 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 51.8 mtt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 126.264 1.826 . . . . 0.0 106.197 169.719 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.24 28.41 54.52 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.506 1.051 . . . . 0.0 114.085 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 53.06 20.55 1.77 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.011 1.324 . . . . 0.0 113.421 -172.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -64.77 154.18 37.66 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.873 -1.142 . . . . 0.0 108.893 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.8 t -127.91 137.29 57.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -135.96 138.98 42.86 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.064 0.545 . . . . 0.0 110.258 -174.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.3 m -127.98 94.69 3.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 t30 55.17 17.15 1.87 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.211 2.204 . . . . 0.0 116.456 175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -75.63 157.85 33.19 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.493 -1.379 . . . . 0.0 110.632 171.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -92.0 138.17 31.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 169.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -135.76 109.75 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.24 167.64 17.51 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.891 0.377 . . . . 0.0 110.931 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -27.69 51.14 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -170.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -115.01 -1.85 12.97 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.6 0.76 . . . . 0.0 112.151 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.6 m -73.96 160.36 31.46 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -147.17 141.68 26.5 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -172.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.98 145.25 39.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 168.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.16 122.51 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 58.74 -20.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.613 2.765 . . . . 0.0 115.594 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -60.09 162.85 5.31 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.922 1.689 . . . . 0.0 113.362 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 126.46 44.58 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.61 128.18 50.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 m -121.86 105.13 10.07 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.267 0.627 . . . . 0.0 109.672 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.72 44.38 5.47 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.009 2.124 . . . . 0.0 112.426 -177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.8 m -90.07 170.84 9.99 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.791 0.836 . . . . 0.0 108.792 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -133.32 109.38 9.33 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 30' ' ' SER . 34.1 mt -114.03 121.41 66.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 -173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -123.69 112.69 17.67 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 125.594 1.558 . . . . 0.0 108.33 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 t30 42.02 35.39 0.55 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.207 1.803 . . . . 0.0 113.675 -171.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.424 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.4 m -122.15 162.23 21.69 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.127 0.971 . . . . 0.0 111.28 -169.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -125.12 133.04 53.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -171.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -134.4 87.35 2.35 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 105.786 -1.931 . . . . 0.0 105.786 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.89 175.45 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -167.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 55.84 47.87 19.32 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 127.305 2.242 . . . . 0.0 112.263 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 62.57 44.21 7.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.153 1.381 . . . . 0.0 113.39 -178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.22 158.18 34.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 167.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.6 mt -137.79 128.01 36.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.0 p -128.52 154.93 45.63 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.119 0.485 . . . . 0.0 110.615 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.5 m -150.14 122.42 8.39 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 46.48 38.0 4.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.606 1.963 . . . . 0.0 114.724 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.7 m -110.47 165.67 11.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.874 0.869 . . . . 0.0 111.537 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -122.74 140.32 53.02 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.19 1.796 . . . . 0.0 108.609 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -139.76 131.24 27.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 106.733 -1.581 . . . . 0.0 106.733 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 m -140.54 113.5 8.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -172.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.8 t70 43.24 43.3 3.98 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.174 2.19 . . . . 0.0 113.654 -172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.26 163.59 24.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.402 1.481 . . . . 0.0 111.132 -170.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -130.44 139.87 50.57 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 121.407 -0.808 . . . . 0.0 109.917 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.75 130.81 42.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 125.538 1.535 . . . . 0.0 106.874 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -136.68 126.73 26.06 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? 34.74 52.27 0.56 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.699 2.0 . . . . 0.0 112.686 -174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.5 m -126.19 146.58 49.91 Favored 'General case' 0 CA--C 1.523 -0.093 0 O-C-N 121.26 -0.9 . . . . 0.0 109.405 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -94.07 134.06 32.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -153.51 97.8 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.351 -0.843 . . . . 0.0 109.463 -169.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.4 m -118.35 135.63 54.21 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -172.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.11 35.61 5.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.852 1.661 . . . . 0.0 111.894 -174.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 t -93.83 161.51 14.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -138.84 112.09 8.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 171.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.2 mt -121.78 117.25 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -169.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -118.94 130.33 55.65 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm 41.55 43.77 2.38 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.951 1.701 . . . . 0.0 113.758 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.4 m -126.53 168.64 13.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.755 0.822 . . . . 0.0 110.294 -174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -128.25 141.39 51.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.39 132.99 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.745 1.218 . . . . 0.0 107.749 -169.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -141.71 135.16 29.55 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.449 0.699 . . . . 0.0 109.321 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt 49.51 24.73 1.19 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.176 1.39 . . . . 0.0 114.171 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -104.79 164.57 11.68 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.158 -0.964 . . . . 0.0 111.025 -169.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.0 m -128.6 95.14 4.04 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.626 1.571 . . . . 0.0 107.972 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -87.71 131.85 34.33 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 172.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.6 m -137.19 97.97 3.62 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 39.65 96.22 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.374 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.4 m -126.36 167.53 15.4 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.183 0.991 . . . . 0.0 110.672 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -128.11 135.63 50.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.418 1.087 . . . . 0.0 108.209 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -120.58 141.91 49.86 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -143.49 121.01 11.73 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.88 44.31 98.25 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.228 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -124.03 166.96 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 119.013 1.407 . . . . 0.0 111.607 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -127.23 125.99 41.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 104.405 -2.442 . . . . 0.0 104.405 169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -138.15 134.69 44.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 119.138 0.881 . . . . 0.0 110.058 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.7 mtt85 -135.48 131.78 36.55 Favored 'General case' 0 CA--C 1.517 -0.321 0 C-N-CA 123.568 0.747 . . . . 0.0 109.382 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 50.57 35.01 10.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.309 1.044 . . . . 0.0 113.178 169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.2 m -123.2 175.23 6.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.831 0.853 . . . . 0.0 111.854 -169.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m -135.38 139.4 44.18 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.7 p -137.74 127.4 25.22 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -136.91 106.08 6.01 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -170.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 64.96 54.07 30.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 103' ' ' GLY . 11.0 p -136.16 160.83 37.46 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.254 1.021 . . . . 0.0 110.702 -174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -131.13 121.32 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.8 mt -133.33 113.2 18.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -169.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.6 m -134.36 6.08 3.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -169.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 32.61 -104.51 0.01 OUTLIER Glycine 0 CA--C 1.539 1.566 0 C-N-CA 126.576 2.036 . . . . 0.0 113.105 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -77.12 169.8 73.28 Favored 'Cis proline' 0 CA--C 1.538 0.681 0 CA-C-N 120.213 2.007 . . . . 0.0 111.077 -4.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.51 21.11 73.26 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.8 t -72.17 139.89 48.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.084 0.954 . . . . 0.0 108.51 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.1 m -135.86 115.68 13.06 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.33 135.18 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 -174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.1 m -141.52 143.85 34.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 p 44.89 43.76 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.991 1.716 . . . . 0.0 113.79 169.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.9 t -126.42 161.69 27.31 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.249 1.02 . . . . 0.0 110.536 -173.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.1 m -126.04 135.73 52.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 169.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.46 125.35 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.5 m -135.81 125.68 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 40.86 48.03 2.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.445 . . . . 0.0 112.504 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 86' ' ' THR . . . 82.64 5.09 89.78 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.53 -1.15 . . . . 0.0 114.256 173.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.2 t -116.03 114.55 46.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 119.488 1.644 . . . . 0.0 107.257 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.38 149.8 31.56 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.415 0.686 . . . . 0.0 109.654 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -62.87 136.09 96.33 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.364 0.666 . . . . 0.0 109.856 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -81.65 8.46 4.42 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.432 2.755 . . . . 0.0 113.763 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.02 144.57 56.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.302 1.041 . . . . 0.0 109.689 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.94 -20.22 63.57 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.206 0.602 . . . . 0.0 112.447 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.47 -27.57 68.6 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.106 0.562 . . . . 0.0 111.825 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.17 129.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.211 0.914 . . . . 0.0 109.964 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -122.35 137.74 54.75 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 168.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.9 tt -146.32 35.08 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 124.743 1.217 . . . . 0.0 109.786 -169.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.8 m -59.27 134.74 57.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.445 1.498 . . . . 0.0 111.773 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 65.1 12.42 54.97 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.441 1.02 . . . . 0.0 114.436 172.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 84.1 m -82.72 160.68 22.31 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.708 1.254 . . . . 0.0 112.781 -173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 24.9 m -144.97 114.8 7.33 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 161.84 41.92 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.141 0.576 . . . . 0.0 111.676 -169.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.0 m -149.89 165.17 33.39 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.124 1.77 . . . . 0.0 109.255 -174.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 150.84 41.65 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.959 0.504 . . . . 0.0 110.21 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 C--O 1.253 1.237 0 N-CA-C 106.949 -1.501 . . . . 0.0 106.949 168.703 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.28 179.05 48.12 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.5 m -153.47 80.31 1.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.58 157.63 44.13 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.92 1.288 . . . . 0.0 109.928 -169.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 t -81.57 75.31 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -77.05 99.15 5.22 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -66.88 -54.6 20.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.789 0.836 . . . . 0.0 110.172 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -164.86 30.7 0.06 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.269 1.028 . . . . 0.0 112.038 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -100.48 167.18 10.53 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.472 1.509 . . . . 0.0 111.556 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -104.16 134.22 47.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 169.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.18 115.72 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 p -68.99 166.34 18.2 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.284 0.564 . . . . 0.0 111.211 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.63 39.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 114.214 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.37 7.14 13.81 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.475 0.71 . . . . 0.0 112.41 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.4 m -85.24 167.21 15.86 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.358 1.063 . . . . 0.0 108.717 169.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -145.81 149.67 34.76 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 p -133.63 139.01 46.24 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.3 t -145.03 130.32 13.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -169.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? 41.69 34.78 0.43 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 127.327 2.251 . . . . 0.0 113.516 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.6 m -137.75 170.82 15.4 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 125.92 1.688 . . . . 0.0 109.017 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.0 m -117.36 142.96 46.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.176 0.991 . . . . 0.0 108.846 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 118.57 11.38 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.8 m -120.89 111.52 17.64 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 123.629 0.772 . . . . 0.0 109.415 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 41.67 47.0 3.34 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 128.26 2.624 . . . . 0.0 114.445 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m -96.1 172.17 8.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.848 0.859 . . . . 0.0 110.342 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -127.4 123.6 36.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 30' ' ' SER . 23.0 mt -128.16 107.64 16.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 -169.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.36 117.33 32.16 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.864 1.665 . . . . 0.0 108.496 -173.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 40.82 34.05 0.24 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.352 1.861 . . . . 0.0 114.202 -172.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.435 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -118.97 152.53 36.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 122.33 1.062 . . . . 0.0 112.278 -169.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -117.36 124.71 49.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.219 1.408 . . . . 0.0 107.765 -169.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 tp -127.03 103.01 7.23 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -132.54 167.46 26.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -168.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t0 54.89 68.2 0.9 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.25 1.82 . . . . 0.0 114.137 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 54.53 39.1 30.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.37 1.468 . . . . 0.0 113.741 176.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -81.8 170.44 15.7 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 168.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.82 140.22 30.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 O-C-N 122.004 -0.435 . . . . 0.0 110.271 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.7 t -120.07 136.96 54.39 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.95 113.08 7.51 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 42.16 56.79 3.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.541 1.936 . . . . 0.0 112.259 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -136.92 171.46 14.48 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.331 1.052 . . . . 0.0 111.437 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -123.01 132.47 54.15 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.467 1.507 . . . . 0.0 108.165 -178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 58' ' ' ILE . 19.1 m-85 -124.79 135.73 53.21 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 169.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -140.72 115.26 9.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 43.86 44.92 6.09 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.202 2.201 . . . . 0.0 113.343 -174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.43 171.4 9.1 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.909 1.284 . . . . 0.0 111.951 -169.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -137.22 140.41 41.68 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.734 0.814 . . . . 0.0 109.494 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.4 128.63 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 124.797 1.239 . . . . 0.0 107.671 -171.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -134.71 130.45 36.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 108.982 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 32.42 48.98 0.13 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.166 2.187 . . . . 0.0 113.425 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -125.14 156.62 38.07 Favored 'General case' 0 CA--C 1.521 -0.145 0 O-C-N 121.576 -0.702 . . . . 0.0 109.34 -172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.15 125.9 74.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 -169.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.1 132.16 41.39 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -175.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.4 m -137.13 124.57 22.04 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 44.65 64.56 1.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.173 1.389 . . . . 0.0 112.294 -174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.6 t -116.02 157.89 23.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.52 1.128 . . . . 0.0 108.769 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -137.32 109.55 7.3 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 175.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.429 HD12 ' CE1' ' A' ' 43' ' ' TYR . 16.0 mt -119.32 118.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -169.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.34 128.36 52.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm 45.71 39.98 5.74 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.644 1.577 . . . . 0.0 113.517 173.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -125.57 163.49 22.61 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.773 0.829 . . . . 0.0 110.768 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.43 141.54 51.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.18 131.15 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -169.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.33 131.35 29.89 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp 49.61 26.58 1.82 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.859 1.663 . . . . 0.0 113.546 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.5 m -110.0 163.5 13.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.643 1.177 . . . . 0.0 111.226 -169.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.2 m -124.75 125.66 44.41 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.65 1.18 . . . . 0.0 108.697 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -118.07 125.06 49.56 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.052 1.341 . . . . 0.0 107.799 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 113.52 10.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.56 42.55 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.278 -0.735 . . . . 0.0 111.691 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -138.18 174.87 10.09 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.888 0.844 . . . . 0.0 112.29 -169.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -139.72 147.39 40.83 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.261 -0.899 . . . . 0.0 110.273 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -128.3 138.99 52.65 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.09 116.66 11.35 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.203 1.001 . . . . 0.0 108.416 172.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.8 44.0 98.11 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 118.596 -1.113 . . . . 0.0 113.345 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.83 164.56 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 119.16 1.48 . . . . 0.0 111.414 -175.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -127.79 115.92 19.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.42 132.84 62.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -171.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -133.01 132.31 41.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.9 0.88 . . . . 0.0 109.112 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m 51.58 31.85 8.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.06 1.344 . . . . 0.0 113.742 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -117.0 173.97 6.36 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.793 0.837 . . . . 0.0 111.924 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.8 m -134.64 140.22 45.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.592 1.157 . . . . 0.0 107.978 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -145.04 118.9 9.27 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 m -136.79 115.78 12.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.119 0.967 . . . . 0.0 108.748 -169.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.89 46.44 94.12 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 103' ' ' GLY . 6.4 p -135.49 155.82 49.89 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.219 1.01 . . . . 0.0 111.479 -169.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.1 m -131.47 130.81 42.91 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 169.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mm -125.26 130.2 73.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 -169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -138.65 166.67 23.76 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.955 0.902 . . . . 0.0 109.565 -176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -144.59 -85.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -71.98 170.03 68.3 Favored 'Cis proline' 0 CA--C 1.54 0.822 0 CA-C-N 119.979 1.889 . . . . 0.0 111.137 -10.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.06 14.65 80.3 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.839 0.733 . . . . 0.0 111.614 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.32 141.54 58.74 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.073 0.949 . . . . 0.0 108.938 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -135.83 125.42 25.24 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.5 mt -138.18 134.76 44.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -174.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.4 m -138.14 138.84 39.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.096 0.959 . . . . 0.0 109.512 170.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.261 7.2 p 48.33 30.62 2.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.803 2.041 . . . . 0.0 114.731 172.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.2 m -89.87 159.87 16.75 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.298 -0.876 . . . . 0.0 110.973 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.4 m -130.03 124.62 33.34 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 86' ' ' THR . 11.6 mt -134.18 130.54 54.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -170.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -140.88 132.02 26.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -170.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 46.29 41.34 8.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.302 . . . . 0.0 112.276 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.94 9.78 84.89 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.248 -1.307 . . . . 0.0 114.873 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.28 126.16 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 119.691 1.745 . . . . 0.0 107.917 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.99 142.77 45.79 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 173.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.6 m -66.81 134.63 94.14 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.55 77.71 2.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.763 2.975 . . . . 0.0 110.084 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.51 137.13 38.33 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.963 1.305 . . . . 0.0 108.734 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -21.56 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.498 0.719 . . . . 0.0 112.584 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.52 -27.97 69.63 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.974 0.509 . . . . 0.0 111.801 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.6 t -74.29 123.57 24.82 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.092 0.86 . . . . 0.0 109.13 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 130.3 53.82 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 169.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.8 tt -142.94 145.65 22.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 124.482 1.113 . . . . 0.0 108.826 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.7 m -157.63 145.33 18.69 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.42 1.088 . . . . 0.0 109.462 173.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.14 24.6 73.35 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.009 -0.884 . . . . 0.0 113.785 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.07 160.05 20.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.562 1.181 . . . . 0.0 112.101 -171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.8 m -130.61 145.17 51.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 126.741 2.016 . . . . 0.0 106.401 169.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.99 142.02 51.06 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.367 1.067 . . . . 0.0 108.657 -172.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.2 m -143.06 157.28 44.68 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.252 1.421 . . . . 0.0 108.425 173.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.79 158.81 25.32 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.709 0.403 . . . . 0.0 110.053 171.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.25 1.095 0 C-N-CA 124.135 0.974 . . . . 0.0 108.625 169.197 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 119.492 -0.29 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.38 -172.84 18.21 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.445 0.545 . . . . 0.0 112.437 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -136.92 126.5 25.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.609 1.564 . . . . 0.0 107.318 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -157.0 168.36 27.72 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.01 1.324 . . . . 0.0 108.884 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.5 t -81.38 132.98 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -135.01 134.87 40.9 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 95.78 4.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.944 1.698 . . . . 0.0 106.542 170.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 56.19 14.4 1.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.049 2.139 . . . . 0.0 116.173 176.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 m -75.14 165.77 24.7 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 120.583 -1.323 . . . . 0.0 109.991 169.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -120.56 136.69 54.72 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.06 118.74 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -65.2 165.59 11.17 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.611 0.72 . . . . 0.0 111.453 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.96 -25.92 63.99 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.905 0.882 . . . . 0.0 112.798 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -100.77 14.16 32.55 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 111.662 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -115.02 167.71 10.56 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 125.315 1.446 . . . . 0.0 109.935 176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -132.47 138.26 47.52 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.748 0.819 . . . . 0.0 108.903 -172.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.6 t -139.2 107.65 5.84 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.78 126.4 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -169.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 56.29 -4.1 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.733 2.413 . . . . 0.0 115.616 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -90.73 178.29 6.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.964 1.306 . . . . 0.0 111.277 -169.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.1 m -125.1 134.33 52.52 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 172.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.98 126.26 37.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -120.2 111.72 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 44.38 37.45 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.639 2.375 . . . . 0.0 113.611 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 77.9 m -89.82 170.04 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.659 0.783 . . . . 0.0 109.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -133.66 128.26 34.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 30' ' ' SER . 22.8 mt -136.73 116.66 16.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.34 127.61 45.79 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.769 1.228 . . . . 0.0 109.659 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 38.84 38.35 0.27 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.06 2.144 . . . . 0.0 112.786 -169.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.491 ' HB2' HG23 ' A' ' 27' ' ' ILE . 74.2 m -128.78 167.95 16.56 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.8 0.84 . . . . 0.0 112.285 -169.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -128.68 131.44 47.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -169.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.61 106.25 9.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.78 162.4 36.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t0 46.01 74.31 0.15 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.832 2.453 . . . . 0.0 112.856 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 48.18 42.65 17.75 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.6 m -74.31 158.93 33.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 167.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.4 mt -137.34 125.88 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.0 t -129.5 137.7 50.96 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -169.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -135.98 110.8 8.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 50.93 26.83 2.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.67 1.988 . . . . 0.0 115.192 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 m -92.29 160.08 15.3 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.321 0.964 . . . . 0.0 110.287 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -113.35 122.48 47.52 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.739 2.016 . . . . 0.0 107.032 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -113.81 136.27 53.05 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m -139.92 116.47 10.74 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 46.27 41.97 9.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.98 1.712 . . . . 0.0 113.752 -176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.42 170.55 14.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.847 1.259 . . . . 0.0 112.829 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -132.42 140.45 48.45 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 124.099 0.959 . . . . 0.0 109.78 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.21 128.31 40.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 125.089 1.356 . . . . 0.0 107.455 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.99 130.09 37.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.796 0.838 . . . . 0.0 109.647 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 tttt 33.5 49.91 0.26 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 127.211 2.205 . . . . 0.0 112.937 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.8 m -125.84 161.66 26.9 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.51 132.43 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -142.51 140.43 31.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.48 0.582 . . . . 0.0 110.622 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -136.84 113.38 10.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.29 1.436 . . . . 0.0 107.63 -177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 52.13 49.3 20.91 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.301 1.84 . . . . 0.0 112.446 172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.8 m -112.03 168.58 9.49 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.029 0.931 . . . . 0.0 110.387 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -120.42 134.97 55.19 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.2 mt -134.97 100.2 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -111.41 129.42 56.02 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 mttp 51.8 25.23 2.84 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.396 1.478 . . . . 0.0 114.229 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -112.4 167.56 10.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.594 0.758 . . . . 0.0 111.684 -169.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -128.97 131.92 47.52 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 106.285 -1.746 . . . . 0.0 106.285 172.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.01 131.0 52.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -169.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -137.03 133.91 36.0 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.118 0.567 . . . . 0.0 109.801 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt 49.69 29.01 2.89 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -111.52 163.13 14.39 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.501 1.12 . . . . 0.0 110.637 -169.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.8 m -125.71 130.34 51.34 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.764 1.226 . . . . 0.0 107.949 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.8 t -129.65 130.31 45.41 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.144 0.978 . . . . 0.0 109.096 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.8 m -138.56 120.14 15.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.47 31.18 51.36 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.74 0.686 . . . . 0.0 113.477 173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.86 161.54 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.964 0.905 . . . . 0.0 110.14 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -131.69 121.71 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 -170.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -110.1 138.5 46.39 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.3 115.39 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 169.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.7 48.69 84.96 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-O 118.849 -0.973 . . . . 0.0 113.178 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.09 157.88 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 118.296 1.048 . . . . 0.0 110.88 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -128.3 102.84 6.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -124.57 136.44 60.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 122.875 0.47 . . . . 0.0 110.434 -169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 148.21 47.57 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 53.89 31.69 13.75 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.648 1.579 . . . . 0.0 113.063 170.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -121.37 175.49 6.14 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.78 0.832 . . . . 0.0 112.025 -169.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.2 m -136.97 137.67 39.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.524 1.13 . . . . 0.0 108.747 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 p -135.51 128.29 31.09 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -135.08 111.49 9.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.386 1.074 . . . . 0.0 108.683 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.2 49.96 72.89 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.4 OUTLIER -137.29 131.13 31.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.999 0.9 . . . . 0.0 111.683 -169.398 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -95.89 136.51 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 169.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.6 mm -133.88 109.77 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 -173.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -138.42 148.58 44.6 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.041 0.448 . . . . 0.0 111.303 -169.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -149.17 -97.89 0.18 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -57.65 163.69 20.32 Favored 'Cis proline' 0 C--N 1.349 0.553 0 CA-C-N 120.859 2.33 . . . . 0.0 113.61 -10.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.36 -2.03 20.53 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.547 1.07 . . . . 0.0 112.732 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.3 m -61.22 138.63 58.22 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 118.047 0.923 . . . . 0.0 110.293 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.9 m -134.61 123.94 24.61 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.1 mt -136.69 134.79 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 m -142.65 134.93 27.55 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 p 46.62 38.64 5.89 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.555 1.542 . . . . 0.0 113.379 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 14.9 t -115.62 160.98 19.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.237 1.015 . . . . 0.0 110.357 -171.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 95.4 m -127.16 136.19 51.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.755 -1.943 . . . . 0.0 105.755 169.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.449 HG22 HG21 ' A' ' 86' ' ' THR . 6.8 mt -137.55 131.52 43.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 -177.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 50.0 m -136.78 132.07 34.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 38.21 51.39 1.52 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.547 1.539 . . . . 0.0 113.299 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 86' ' ' THR . . . 81.0 3.76 90.63 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 118.332 -1.26 . . . . 0.0 114.411 173.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.91 120.34 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 119.684 1.742 . . . . 0.0 108.022 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.12 150.15 35.63 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.425 0.69 . . . . 0.0 109.818 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 p -64.4 147.35 97.35 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.061 0.544 . . . . 0.0 110.185 173.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -81.12 7.47 4.93 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.443 2.762 . . . . 0.0 113.797 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.22 137.88 56.53 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.36 1.064 . . . . 0.0 109.396 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.73 -16.75 58.96 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.419 0.688 . . . . 0.0 112.428 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.99 74.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 118.834 -0.603 . . . . 0.0 111.316 174.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.6 t -71.58 132.36 44.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.662 0.665 . . . . 0.0 110.066 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.79 138.08 50.85 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 168.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 tt -141.0 143.86 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 125.121 1.368 . . . . 0.0 108.677 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.2 m -146.55 150.06 34.79 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.335 1.054 . . . . 0.0 109.397 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.75 37.35 56.98 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.451 1.5 . . . . 0.0 114.164 169.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 5.9 t -134.06 160.35 38.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.394 1.097 . . . . 0.0 112.917 -169.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -125.82 147.25 49.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.897 1.679 . . . . 0.0 108.112 170.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.9 mt -128.78 149.42 50.73 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.836 1.255 . . . . 0.0 108.725 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 m -147.06 159.3 43.75 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.307 1.043 . . . . 0.0 109.086 171.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.37 148.97 30.39 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 21.6 ttt . . . . . 0 C--O 1.249 1.027 0 C-N-CA 124.234 1.014 . . . . 0.0 108.431 169.602 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.8 t70 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.26 -176.38 47.26 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 p -141.78 119.17 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -148.98 117.84 6.68 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.73 74.13 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 172.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -91.91 126.11 36.87 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 123.362 0.665 . . . . 0.0 110.012 -172.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -81.16 -56.19 4.25 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.411 1.084 . . . . 0.0 109.89 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -160.49 12.04 0.11 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.607 1.163 . . . . 0.0 112.375 -175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -73.48 159.36 33.33 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 111.257 -171.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -96.69 133.96 40.55 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 170.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.83 113.03 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 p -71.12 169.94 13.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.398 0.618 . . . . 0.0 111.552 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.05 -25.91 59.44 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.962 1.305 . . . . 0.0 113.921 -174.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -121.17 34.62 5.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.319 1.048 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.1 m -121.99 163.38 19.46 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.615 1.566 . . . . 0.0 108.978 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -155.96 148.21 23.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 118.321 0.51 . . . . 0.0 110.295 -171.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.79 145.37 48.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 168.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -143.11 116.58 3.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt 62.67 -19.88 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 128.51 2.724 . . . . 0.0 114.545 -170.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -62.98 164.27 8.5 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.778 1.231 . . . . 0.0 113.436 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 m -112.14 148.74 33.35 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.366 1.466 . . . . 0.0 107.3 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.32 132.76 26.8 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.613 -0.679 . . . . 0.0 109.591 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.67 81.08 2.01 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.437 0.695 . . . . 0.0 109.522 -169.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.78 59.76 4.26 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.94 1.696 . . . . 0.0 111.379 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m -106.55 174.79 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.946 1.298 . . . . 0.0 109.108 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -137.13 117.24 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.429 HG23 ' HB2' ' A' ' 30' ' ' SER . 35.6 mt -123.56 112.89 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -169.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -118.18 115.38 24.66 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.815 1.646 . . . . 0.0 108.488 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.9 t30 43.0 38.88 1.57 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.911 1.684 . . . . 0.0 113.264 -173.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' HG23 ' A' ' 27' ' ' ILE . 66.7 m -129.29 165.04 22.22 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.053 0.941 . . . . 0.0 112.442 -169.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -126.98 133.45 50.57 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 123.922 0.889 . . . . 0.0 108.642 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.0 tp -132.31 84.84 2.18 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -121.1 179.52 2.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -167.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.1 t0 55.82 52.88 10.09 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.758 2.023 . . . . 0.0 111.89 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 58.29 40.81 24.2 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.972 0.909 . . . . 0.0 113.163 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -73.38 173.78 9.07 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.193 -0.942 . . . . 0.0 109.543 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.7 tt -142.67 146.56 21.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 O-C-N 121.489 -0.757 . . . . 0.0 109.694 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.92 153.24 50.48 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -144.77 126.99 15.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 46.27 36.28 3.21 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.481 1.512 . . . . 0.0 113.766 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.3 m -116.19 158.61 23.02 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.256 0.622 . . . . 0.0 111.248 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -115.63 137.97 51.54 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.684 1.594 . . . . 0.0 107.607 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.62 129.75 33.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 m -141.32 115.47 9.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -171.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 43.83 42.02 4.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.686 1.994 . . . . 0.0 113.757 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.33 167.13 14.77 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.367 1.467 . . . . 0.0 111.758 -169.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -134.84 138.2 43.98 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 123.612 0.765 . . . . 0.0 109.698 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -139.65 133.33 37.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -172.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -135.11 130.76 35.98 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 34.76 52.38 0.57 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.805 2.042 . . . . 0.0 113.54 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.1 m -123.68 156.51 35.78 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.38 -0.825 . . . . 0.0 109.225 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -121.55 110.66 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -169.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.2 m -130.65 139.97 50.37 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 118.632 0.651 . . . . 0.0 109.935 -169.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 75.2 m -136.29 129.83 32.04 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.801 1.24 . . . . 0.0 107.714 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t0 42.18 67.46 0.58 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.409 2.283 . . . . 0.0 112.76 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 68.5 m -128.35 167.13 17.4 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.475 0.71 . . . . 0.0 110.682 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -133.07 112.17 11.57 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 105.626 -1.991 . . . . 0.0 105.626 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD12 ' CD2' ' A' ' 73' ' ' TYR . 19.7 mm -117.71 107.66 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -168.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -119.1 127.59 53.51 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 47.14 34.42 2.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.713 1.605 . . . . 0.0 113.652 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.0 m -119.35 165.58 14.12 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.574 0.749 . . . . 0.0 111.198 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -126.22 132.66 51.7 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.277 1.431 . . . . 0.0 107.504 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.5 t -136.02 133.76 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -141.43 136.35 31.26 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.95 176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.5 mt 51.9 27.12 4.05 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.717 1.207 . . . . 0.0 113.464 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 m -109.71 159.8 16.85 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 110.235 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.0 m -122.43 128.57 51.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.7 t -128.33 126.5 40.86 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.928 0.891 . . . . 0.0 108.786 -172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 m -135.98 121.25 19.1 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.73 36.54 59.63 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 119.415 -0.658 . . . . 0.0 112.632 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.0 m -129.1 165.17 21.76 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.275 1.03 . . . . 0.0 110.482 -169.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -132.99 134.73 44.86 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 58' ' ' ILE . 16.0 m-30 -118.23 131.17 56.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -140.24 101.44 4.14 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -173.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.91 43.56 82.36 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.764 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' A' ' 93' ' ' CYS . 3.7 pt -129.12 169.89 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 119.426 1.613 . . . . 0.0 111.916 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -123.68 129.66 51.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.2 tt -143.15 131.49 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -137.09 135.48 37.5 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.369 0.668 . . . . 0.0 109.484 -169.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 m 51.37 35.08 13.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.248 1.419 . . . . 0.0 113.664 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -121.87 174.71 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.444 0.698 . . . . 0.0 111.843 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.7 m -136.86 133.93 36.36 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.456 1.102 . . . . 0.0 108.524 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.5 p -136.38 128.48 29.68 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -135.69 114.68 12.18 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.163 0.985 . . . . 0.0 108.409 -174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.06 41.91 99.71 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -131.79 121.34 23.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.656 1.228 . . . . 0.0 111.968 -168.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.4 m -93.94 134.35 36.42 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 168.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -137.08 125.05 32.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 m -139.45 166.6 24.14 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.364 1.066 . . . . 0.0 110.746 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -132.83 -80.98 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 107.219 -2.352 . . . . 0.0 107.219 169.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.48 164.63 54.24 Favored 'Cis proline' 0 CA--C 1.538 0.677 0 CA-C-N 119.942 1.871 . . . . 0.0 111.632 -10.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.3 73.87 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.483 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.3 t -66.6 147.3 53.46 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -136.0 131.6 35.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.4 mt -136.9 134.82 48.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.1 m -138.52 141.07 39.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.216 0.606 . . . . 0.0 110.222 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.44 31.2 16.46 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 168.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 94.9 m -104.52 163.56 12.37 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.139 0.976 . . . . 0.0 111.983 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.1 m -129.81 133.44 46.95 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 103.845 -2.65 . . . . 0.0 103.845 168.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mt -141.51 135.36 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.2 m -140.19 128.82 22.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.41 1.084 . . . . 0.0 108.282 -172.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 40.66 49.28 2.74 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.521 1.529 . . . . 0.0 113.333 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.501 ' H ' HG22 ' A' ' 86' ' ' THR . . . 83.93 2.69 89.55 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 118.066 -1.408 . . . . 0.0 114.42 172.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 t -130.73 137.02 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 119.898 1.849 . . . . 0.0 108.184 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.45 148.77 47.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.73 -0.606 . . . . 0.0 109.625 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 p -132.35 161.35 63.57 Favored Pre-proline 0 CA--C 1.542 0.654 0 C-N-CA 125.103 1.361 . . . . 0.0 109.201 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.46 123.71 10.79 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.73 2.953 . . . . 0.0 113.587 -171.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -141.53 -4.37 1.11 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 56.53 -16.61 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 130.299 3.44 . . . . 0.0 116.825 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -135.33 12.69 3.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.824 1.193 . . . . 0.0 112.777 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.2 t -59.06 133.72 56.35 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.89 0.768 . . . . 0.0 110.768 -175.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -135.55 128.61 31.59 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.6 tt -141.13 143.99 27.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 124.386 1.074 . . . . 0.0 109.366 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.0 m -146.81 146.57 30.29 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.52 1.128 . . . . 0.0 109.366 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.33 37.62 60.21 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.26 1.41 . . . . 0.0 113.632 169.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.18 160.2 28.4 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.176 0.988 . . . . 0.0 112.98 -169.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.8 m -134.11 144.81 48.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.833 2.053 . . . . 0.0 107.344 171.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.6 mt -129.24 145.88 51.26 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.881 1.272 . . . . 0.0 108.509 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.8 m -142.84 150.38 39.82 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.515 1.126 . . . . 0.0 108.857 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.71 169.27 13.21 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.102 0.561 . . . . 0.0 110.407 171.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 C--O 1.249 1.029 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 -176.716 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.756 0.313 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.14 29.51 1.93 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.069 1.319 . . . . 0.0 110.766 169.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -137.62 -11.7 1.57 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.32 1.048 . . . . 0.0 113.152 -169.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.9 t -59.09 148.93 29.33 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.617 1.098 . . . . 0.0 109.721 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -122.4 64.99 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -72.89 157.88 36.59 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.119 170.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -123.06 -66.46 1.02 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 126.412 1.885 . . . . 0.0 107.3 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -148.81 16.74 0.98 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.227 1.811 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 m -69.75 169.62 12.58 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.5 0.72 . . . . 0.0 110.552 170.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -118.17 139.89 50.6 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 169.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -130.04 116.63 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.45 -2.055 . . . . 0.0 105.45 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -64.06 162.7 13.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.22 0.533 . . . . 0.0 111.477 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.49 63.18 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -109.07 -4.72 16.4 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.371 0.668 . . . . 0.0 112.087 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 53.7 m -71.75 171.55 11.39 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.387 0.675 . . . . 0.0 109.985 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -139.45 143.56 37.64 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.565 -0.709 . . . . 0.0 109.187 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -134.2 121.23 21.07 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 104.691 -2.336 . . . . 0.0 104.691 169.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -143.58 129.99 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 pttt 34.01 45.39 0.11 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.197 2.199 . . . . 0.0 113.297 -173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.0 m -140.12 160.66 39.44 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.554 1.542 . . . . 0.0 108.371 -172.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 m -117.47 141.32 48.49 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.28 124.12 19.96 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -121.58 110.76 16.4 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.365 1.066 . . . . 0.0 109.05 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.0 t30 42.57 40.82 2.09 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.203 1.801 . . . . 0.0 113.894 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.7 m -87.74 166.69 14.45 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -132.5 125.83 31.53 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 171.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.8 mt -127.92 118.27 48.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -169.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.83 115.18 23.32 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.812 1.645 . . . . 0.0 108.421 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.9 t30 40.98 40.51 1.04 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.291 1.836 . . . . 0.0 113.988 -174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.5 m -127.58 165.19 20.39 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 124.015 0.926 . . . . 0.0 111.436 -169.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.31 130.31 50.58 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 tp -125.22 100.69 6.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.13 163.41 36.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.4 t0 54.9 63.4 2.14 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.833 1.653 . . . . 0.0 113.42 169.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.64 34.61 17.54 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.936 1.695 . . . . 0.0 113.417 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.6 m -76.54 152.09 36.12 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 167.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.6 mt -139.25 120.72 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.63 147.49 45.16 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.459 0.572 . . . . 0.0 109.612 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.5 m -143.4 114.37 7.74 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 59.86 13.95 3.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.557 1.543 . . . . 0.0 113.815 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 m -95.57 166.67 11.73 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.015 -1.053 . . . . 0.0 112.117 -172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -118.31 138.13 52.6 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.966 2.106 . . . . 0.0 107.831 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -135.38 130.51 35.02 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -141.88 113.8 7.99 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -171.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 43.27 44.46 4.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.449 1.9 . . . . 0.0 113.13 -173.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.38 171.12 10.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.669 1.588 . . . . 0.0 112.268 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -133.65 144.14 49.02 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.36 1.064 . . . . 0.0 109.138 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.13 128.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -133.91 127.26 32.1 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm 37.15 49.29 0.84 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.294 1.838 . . . . 0.0 113.487 -177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -128.19 149.07 50.61 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.734 -0.604 . . . . 0.0 109.616 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.76 128.92 59.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.13 112.05 4.85 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -168.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -125.25 127.86 47.4 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.943 0.897 . . . . 0.0 109.977 -169.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t0 46.72 40.36 8.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.889 2.076 . . . . 0.0 111.879 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 m -105.55 165.2 11.32 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.376 0.671 . . . . 0.0 109.977 -176.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -127.65 111.77 14.1 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.5 mm -117.05 100.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -169.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -118.31 130.98 56.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -171.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm 49.38 21.98 0.64 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.465 1.506 . . . . 0.0 114.196 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -110.31 163.36 13.72 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 119.146 0.884 . . . . 0.0 111.576 -169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -133.05 115.97 15.79 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.639 -1.986 . . . . 0.0 105.639 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 52.8 t -119.81 134.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 124.8 1.24 . . . . 0.0 108.789 -168.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -141.13 132.65 26.97 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.671 0.788 . . . . 0.0 109.3 -176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.3 mt 49.05 26.99 1.54 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.54 1.136 . . . . 0.0 113.513 174.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.0 m -110.95 163.75 13.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.565 1.146 . . . . 0.0 111.341 -168.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.8 m -123.91 131.82 53.64 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.23 1.412 . . . . 0.0 107.498 176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.2 t -131.38 134.43 46.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.867 1.267 . . . . 0.0 108.332 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 m -138.03 118.84 14.14 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.84 35.92 59.14 Favored Glycine 0 CA--C 1.53 0.995 0 CA-C-O 118.94 -0.922 . . . . 0.0 113.338 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -130.97 158.88 39.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.458 1.129 . . . . 0.0 112.143 -169.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 124.91 53.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -110.25 132.65 53.99 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.469 -2.049 . . . . 0.0 105.469 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.32 103.38 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.02 42.46 92.48 Favored Glycine 0 CA--C 1.526 0.753 0 CA-C-O 118.544 -1.142 . . . . 0.0 112.457 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -126.12 146.7 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 119.08 1.44 . . . . 0.0 111.372 -175.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -99.12 130.19 45.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 168.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -144.27 131.2 16.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 118.65 0.659 . . . . 0.0 109.622 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -132.36 138.51 47.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.679 0.792 . . . . 0.0 109.739 -171.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m 51.44 29.13 4.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.916 1.287 . . . . 0.0 114.131 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.0 m -114.21 173.31 6.51 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.989 0.813 . . . . 0.0 112.232 -169.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.0 m -136.9 134.66 37.05 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.913 1.285 . . . . 0.0 107.888 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.8 p -134.16 154.48 51.2 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.532 0.733 . . . . 0.0 109.417 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.2 m -152.37 134.33 14.87 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.333 -0.854 . . . . 0.0 108.961 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.46 45.45 36.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.924 1.249 . . . . 0.0 114.051 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -142.31 161.62 37.56 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.554 1.677 . . . . 0.0 110.473 -172.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -122.22 130.55 53.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.33 -1.73 . . . . 0.0 106.33 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.4 mt -136.35 121.75 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 -169.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.7 m -138.74 154.92 48.57 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.925 0.89 . . . . 0.0 109.767 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.63 -92.02 1.17 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 108.314 -1.915 . . . . 0.0 108.314 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -70.11 163.1 83.66 Favored 'Cis proline' 0 CA--C 1.539 0.743 0 CA-C-N 120.014 1.907 . . . . 0.0 111.197 -9.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.9 18.25 68.12 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 123.825 0.726 . . . . 0.0 111.786 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 2.1 t -71.97 153.36 41.85 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 117.624 0.712 . . . . 0.0 109.353 173.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.3 m -139.06 132.04 29.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.521 1.528 . . . . 0.0 107.685 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -138.17 139.61 41.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 124.957 1.303 . . . . 0.0 107.534 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 35.2 m -140.28 143.21 35.79 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 p 46.93 35.3 3.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.309 1.844 . . . . 0.0 113.332 169.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.5 t -104.39 162.67 13.03 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.51 0.724 . . . . 0.0 111.788 -169.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 m -129.57 130.85 46.23 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 171.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.54 142.18 31.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.4 m -150.24 134.55 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 171.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 43.74 46.31 6.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.189 1.396 . . . . 0.0 113.225 173.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 78.77 9.84 86.72 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 118.83 -0.983 . . . . 0.0 113.784 173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.3 t -119.05 137.37 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.21 175.7 9.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.498 1.519 . . . . 0.0 110.309 -173.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.0 m 66.06 47.85 0.54 Allowed Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 124.262 1.025 . . . . 0.0 113.404 170.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -77.64 5.05 5.5 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 122.001 1.801 . . . . 0.0 111.671 168.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -149.36 142.5 24.99 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 128.202 2.601 . . . . 0.0 107.248 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.29 -15.82 63.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.457 0.703 . . . . 0.0 112.486 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.13 70.44 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.402 0.681 . . . . 0.0 111.674 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.1 t -60.67 133.22 55.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.689 0.677 . . . . 0.0 110.159 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -133.36 136.87 45.61 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 169.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.2 mt -138.78 140.49 38.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.9 m -142.86 144.55 32.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.995 1.318 . . . . 0.0 108.605 173.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 59.78 29.63 67.76 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.72 -1.045 . . . . 0.0 114.39 170.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.99 164.25 16.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.812 1.306 . . . . 0.0 112.809 -169.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.7 m -135.53 135.14 40.14 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 126.818 2.047 . . . . 0.0 106.282 172.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 mp -128.73 144.8 51.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.534 1.133 . . . . 0.0 108.278 -171.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.9 m -147.93 159.9 43.38 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.096 1.358 . . . . 0.0 109.429 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.82 154.53 38.25 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.846 -0.534 . . . . 0.0 109.724 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 C--O 1.251 1.159 0 C-N-CA 123.857 0.863 . . . . 0.0 108.785 169.477 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.902 0.382 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.91 -147.18 12.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m -76.49 66.35 2.49 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.707 1.203 . . . . 0.0 108.228 173.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.0 m -74.58 -15.66 60.84 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 t 37.84 58.54 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.701 2.001 . . . . 0.0 110.268 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -72.71 128.29 35.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.787 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 m -126.53 107.26 10.07 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.1 t30 42.63 31.05 0.26 Allowed 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.59 2.356 . . . . 0.0 115.319 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -101.84 161.49 13.62 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.347 1.059 . . . . 0.0 111.175 -174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -119.22 129.85 55.17 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 114.99 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 103.986 -2.598 . . . . 0.0 103.986 175.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.5 p -68.39 166.27 17.04 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.257 0.551 . . . . 0.0 110.884 -175.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -24.89 62.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.957 0.903 . . . . 0.0 113.126 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -102.64 0.69 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.287 1.435 . . . . 0.0 111.973 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -91.56 177.88 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.664 1.185 . . . . 0.0 109.083 169.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -147.27 137.35 23.17 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.497 -0.752 . . . . 0.0 110.733 -175.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.17 144.84 33.62 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 126.413 1.885 . . . . 0.0 106.77 169.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.04 -44.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 CA-C-O 122.49 1.138 . . . . 0.0 112.424 -169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -148.36 97.56 2.78 Favored 'General case' 0 C--N 1.315 -0.933 1 N-CA-C 100.123 -4.029 . . . . 0.0 100.123 175.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -152.85 -179.63 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.794 0.331 . . . . 0.0 110.708 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.6 m -149.48 133.88 17.47 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 169.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.82 130.5 22.77 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 m -125.67 110.95 14.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.18 42.88 0.8 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.919 2.088 . . . . 0.0 113.087 -171.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.61 163.45 23.63 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -132.28 122.42 25.12 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 30' ' ' SER . 20.6 mt -136.36 116.99 17.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -169.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -125.38 127.2 46.21 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.223 1.409 . . . . 0.0 109.499 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t30 37.0 40.13 0.14 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.086 2.154 . . . . 0.0 113.89 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB2' HG23 ' A' ' 27' ' ' ILE . 67.3 m -130.65 162.47 29.31 Favored 'General case' 0 CA--C 1.527 0.072 0 O-C-N 121.688 -0.633 . . . . 0.0 112.155 -169.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -116.87 133.17 56.34 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.344 0.658 . . . . 0.0 109.376 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 tp -123.38 96.67 5.08 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.51 174.07 12.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 118.643 0.656 . . . . 0.0 112.591 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.8 t0 51.6 46.55 26.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.646 1.978 . . . . 0.0 112.935 178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.269 1.3 m 59.99 41.3 17.71 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.841 2.056 . . . . 0.0 112.982 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.9 m -70.94 164.07 26.2 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 tt -133.3 141.85 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 122.655 0.382 . . . . 0.0 110.515 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 36.3 t -126.99 138.94 53.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.789 1.236 . . . . 0.0 107.824 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.2 m -135.24 103.34 5.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 58.63 20.01 7.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.706 1.202 . . . . 0.0 113.855 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.3 m -89.25 166.38 13.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 119.459 1.027 . . . . 0.0 110.548 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.98 129.46 56.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.953 1.701 . . . . 0.0 107.334 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.5 135.61 53.68 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.5 m -142.55 115.73 8.91 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 47.14 41.76 12.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.046 1.738 . . . . 0.0 113.225 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.55 171.27 12.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.013 1.325 . . . . 0.0 113.147 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -130.34 137.95 50.18 Favored 'General case' 0 CA--C 1.515 -0.399 0 C-N-CA 124.164 0.986 . . . . 0.0 109.003 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -137.11 126.92 38.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -134.57 128.73 33.82 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.718 0.807 . . . . 0.0 109.204 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.6 tttm 34.15 50.56 0.37 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 127.05 2.14 . . . . 0.0 112.954 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -125.73 161.24 27.76 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -114.93 132.49 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 137.19 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 119.48 -0.888 . . . . 0.0 111.335 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 60.1 m -135.92 131.01 34.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.645 1.178 . . . . 0.0 108.117 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t0 45.95 46.98 12.56 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.775 2.03 . . . . 0.0 112.099 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.08 165.15 11.69 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.038 0.935 . . . . 0.0 109.003 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -132.24 119.35 20.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.7 mt -123.04 100.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 -169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -113.41 127.23 56.05 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -172.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.54 28.69 4.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.089 1.356 . . . . 0.0 113.389 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -118.73 167.45 11.66 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.292 -169.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.83 135.58 51.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -135.84 130.19 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -138.13 133.26 33.16 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt 48.51 27.92 1.58 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.588 1.086 . . . . 0.0 113.799 174.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -112.03 163.81 13.85 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.027 -1.045 . . . . 0.0 111.137 -168.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.0 m -128.47 107.02 9.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.902 1.281 . . . . 0.0 108.749 -177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.2 t -98.47 131.4 44.76 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.312 0.645 . . . . 0.0 109.37 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.7 m -134.07 113.88 12.57 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 174.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.55 37.31 66.84 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-O 119.208 -0.773 . . . . 0.0 112.715 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -132.23 178.44 6.81 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.485 1.114 . . . . 0.0 110.341 -169.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.48 140.84 35.4 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.0 m-30 -123.97 134.65 53.44 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.37 118.29 15.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 171.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.37 94.18 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.731 -1.038 . . . . 0.0 113.415 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -125.02 164.58 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 118.968 1.384 . . . . 0.0 111.768 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -122.97 122.72 39.23 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 103.934 -2.617 . . . . 0.0 103.934 169.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.08 131.92 42.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -134.77 142.27 46.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.983 0.42 . . . . 0.0 111.508 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 52.78 31.2 10.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.441 1.497 . . . . 0.0 113.62 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.6 m -120.12 174.77 6.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.907 0.883 . . . . 0.0 111.927 -169.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -137.4 139.49 40.75 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.198 0.999 . . . . 0.0 108.458 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.3 p -138.63 130.56 28.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.8 m -132.65 128.37 36.92 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.085 0.954 . . . . 0.0 108.607 -175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.56 32.55 39.14 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 118.264 -1.298 . . . . 0.0 114.411 175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -129.7 165.2 22.33 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.313 2.056 . . . . 0.0 110.963 -171.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 t -130.12 131.6 45.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -127.45 135.57 62.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.3 m -136.44 166.28 23.85 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.146 1.378 . . . . 0.0 109.867 -170.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.95 -149.17 0.18 Allowed Glycine 0 CA--C 1.542 1.736 0 C-N-CA 126.775 2.131 . . . . 0.0 113.867 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.32 -14.55 31.61 Favored 'Cis proline' 0 CA--C 1.538 0.703 0 CA-C-N 119.595 1.698 . . . . 0.0 115.298 10.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 40.8 0.92 Allowed Glycine 0 N--CA 1.465 0.615 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.3 t -64.04 132.58 51.02 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.749 0.82 . . . . 0.0 111.47 -169.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.8 m -139.05 124.83 19.66 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 126.704 2.002 . . . . 0.0 105.752 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.95 135.12 48.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 -174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.8 m -135.38 137.86 42.75 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.238 1.015 . . . . 0.0 109.409 171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.84 37.46 7.33 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.632 1.573 . . . . 0.0 114.358 169.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 96.7 m -100.6 161.84 13.33 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.091 0.957 . . . . 0.0 110.824 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.5 m -129.07 130.92 47.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 104.046 -2.576 . . . . 0.0 104.046 169.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 mt -135.92 132.21 50.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.2 m -131.1 123.04 27.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 43.63 41.82 3.76 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.517 1.527 . . . . 0.0 113.522 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 85.23 14.12 69.64 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 119.002 -0.888 . . . . 0.0 113.352 175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.69 111.19 29.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 150.72 41.2 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 171.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.3 p -64.91 152.19 91.42 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 123.19 0.596 . . . . 0.0 110.439 172.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -81.66 12.2 2.84 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.658 2.905 . . . . 0.0 113.198 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.65 136.57 53.16 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.972 0.909 . . . . 0.0 109.173 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.1 -17.61 62.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.405 0.682 . . . . 0.0 112.401 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.4 72.06 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.968 0.507 . . . . 0.0 111.312 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.54 127.85 34.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -132.86 131.06 40.55 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.4 tt -143.81 147.79 19.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.325 1.05 . . . . 0.0 109.17 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 m -157.77 150.04 22.4 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 109.15 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.62 19.11 70.76 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 118.762 -1.021 . . . . 0.0 114.687 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 81.3 m -110.93 163.47 13.78 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.535 1.167 . . . . 0.0 112.222 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.8 m -136.31 139.04 42.32 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 168.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.23 155.3 41.96 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 118.868 0.758 . . . . 0.0 111.435 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.6 m -155.34 170.8 21.05 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.502 1.521 . . . . 0.0 109.878 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.32 148.41 49.75 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 168.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 C--O 1.247 0.969 0 C-N-CA 123.499 0.72 . . . . 0.0 109.247 176.122 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.3 164.16 37.46 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.5 p -96.52 -165.94 1.34 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.247 1.019 . . . . 0.0 110.538 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.2 m -70.79 -13.76 62.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 117.679 -1.153 . . . . 0.0 113.409 169.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 t 34.34 58.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.511 1.924 . . . . 0.0 109.193 -169.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -76.74 102.82 6.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.517 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -68.51 -54.98 13.33 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -170.14 81.3 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.175 1.79 . . . . 0.0 107.512 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -144.48 168.63 19.66 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.409 1.484 . . . . 0.0 110.844 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -128.5 134.79 48.78 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.03 1.332 . . . . 0.0 108.506 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.62 122.85 17.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.7 p -71.73 168.85 16.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.303 0.573 . . . . 0.0 111.726 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.62 -27.32 62.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.573 1.149 . . . . 0.0 113.837 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -109.99 -0.46 18.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.293 0.637 . . . . 0.0 112.12 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -78.58 165.75 23.33 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 168.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -143.45 149.89 38.24 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 p -136.17 129.25 31.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.3 t -145.72 134.56 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 pttt 34.68 45.97 0.17 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.606 1.962 . . . . 0.0 113.177 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -139.99 178.4 7.29 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.96 1.704 . . . . 0.0 108.211 -172.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.3 m -136.05 141.85 44.33 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -173.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.62 120.45 12.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.93 0.492 . . . . 0.0 109.76 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.5 m -125.71 124.71 41.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.808 0.843 . . . . 0.0 108.801 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 45.67 37.62 3.45 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.769 1.628 . . . . 0.0 112.04 -173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.1 t -94.64 152.75 18.24 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -126.11 125.54 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 30' ' ' SER . 27.9 mt -127.74 106.74 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 -172.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -115.39 120.24 38.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 125.357 1.463 . . . . 0.0 108.269 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 t30 40.16 32.02 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.754 2.021 . . . . 0.0 113.713 -169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.9 m -117.41 156.89 27.15 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.862 0.865 . . . . 0.0 111.636 -169.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -125.35 117.03 22.85 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -169.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -117.73 104.55 11.1 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 125.181 1.392 . . . . 0.0 107.502 -171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.16 163.45 36.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 112.823 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.7 t70 52.77 66.51 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.216 1.806 . . . . 0.0 113.599 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.09 33.0 19.69 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.984 1.713 . . . . 0.0 113.255 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.3 m -76.02 149.9 37.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.04 133.24 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -129.53 135.76 49.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -175.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 m -139.3 118.52 12.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.406 -1.702 . . . . 0.0 106.406 -178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 44.82 39.91 3.89 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.053 1.741 . . . . 0.0 114.197 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.9 m -125.69 167.79 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.603 0.761 . . . . 0.0 111.882 -172.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -119.47 132.89 55.88 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.686 1.594 . . . . 0.0 108.052 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.0 133.8 54.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m -141.4 118.84 11.51 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.12 42.55 3.39 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.538 1.935 . . . . 0.0 113.057 -173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.95 167.03 12.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.95 1.3 . . . . 0.0 112.142 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -132.21 143.65 50.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.28 1.032 . . . . 0.0 109.034 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.14 130.59 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -133.9 124.75 26.95 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.33 47.93 1.57 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.431 1.892 . . . . 0.0 113.262 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -126.6 150.53 48.83 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.33 124.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 -169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.24 130.97 41.64 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -169.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.6 m -137.0 123.6 20.99 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.0 t70 50.24 46.71 24.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.56 1.544 . . . . 0.0 113.434 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 75.3 m -116.85 165.11 13.7 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.427 -0.796 . . . . 0.0 111.607 -174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -132.58 111.55 11.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -124.76 110.7 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 -169.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -123.66 135.15 53.74 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm 49.86 21.22 0.66 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.249 1.819 . . . . 0.0 114.377 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -109.81 164.28 12.72 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.973 0.806 . . . . 0.0 112.839 -168.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -128.35 126.39 40.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.0 t -129.94 133.47 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 123.9 0.88 . . . . 0.0 108.855 -168.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -143.11 127.8 18.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.683 0.793 . . . . 0.0 109.665 -173.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt 44.1 35.08 1.09 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.845 1.202 . . . . 0.0 113.977 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -115.26 159.16 21.34 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 120.942 -1.099 . . . . 0.0 110.307 -169.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.9 m -125.36 126.93 45.82 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.3 t -123.59 126.88 47.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.848 1.259 . . . . 0.0 108.124 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 m -134.61 118.74 17.54 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 31.28 58.64 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.998 174.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.3 m -125.5 169.75 12.11 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 118.267 1.034 . . . . 0.0 111.092 -169.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -139.98 129.89 24.74 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 121.482 -0.761 . . . . 0.0 109.005 -169.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -119.86 139.97 51.55 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -140.73 105.94 5.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.578 0.751 . . . . 0.0 109.145 177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.77 45.51 88.27 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-O 118.8 -1.0 . . . . 0.0 112.78 176.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.9 156.21 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 118.828 1.314 . . . . 0.0 110.912 -176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -114.14 125.7 54.25 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 168.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -138.59 128.44 32.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -128.72 144.59 51.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.598 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m 53.81 27.19 6.79 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.927 1.291 . . . . 0.0 113.582 169.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 m -117.13 173.5 6.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.675 0.79 . . . . 0.0 112.097 -169.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 42.8 m -134.46 135.08 42.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.354 1.062 . . . . 0.0 108.205 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.2 p -135.64 125.77 26.18 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 120.64 22.39 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 44.58 74.53 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 117.401 -1.777 . . . . 0.0 113.017 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 t -140.24 151.16 44.93 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.137 2.469 . . . . 0.0 111.209 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 m -109.54 145.13 36.83 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.394 1.077 . . . . 0.0 108.45 171.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.6 mt -142.48 131.06 21.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.0 m -137.68 167.39 21.79 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.807 1.243 . . . . 0.0 109.971 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -138.44 -86.18 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 169.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.53 166.89 77.16 Favored 'Cis proline' 0 CA--C 1.541 0.846 0 CA-C-N 119.945 1.873 . . . . 0.0 110.816 -10.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.71 15.73 78.86 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.13 144.86 56.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.019 0.928 . . . . 0.0 108.71 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -138.48 126.35 22.43 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.318 1.447 . . . . 0.0 107.37 -174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 mt -138.2 137.94 43.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 124.574 1.15 . . . . 0.0 108.052 -174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 m -139.06 141.24 38.21 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.167 0.587 . . . . 0.0 110.118 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.7 p 47.48 33.93 3.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.27 1.828 . . . . 0.0 113.984 169.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 9.1 t -104.87 165.51 11.02 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.926 0.89 . . . . 0.0 110.745 -173.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.1 m -129.14 128.68 43.94 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 169.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mt -136.27 134.76 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.7 m -141.51 134.04 28.35 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.657 0.783 . . . . 0.0 109.283 -175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 43.99 38.19 2.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.241 1.816 . . . . 0.0 114.995 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.44 11.8 63.83 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 118.758 -1.023 . . . . 0.0 113.326 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.06 123.13 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 119.053 1.426 . . . . 0.0 107.808 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.24 142.22 39.64 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 170.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.9 m -69.3 133.13 89.47 Favored Pre-proline 0 CA--C 1.541 0.611 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.34 19.09 0.74 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.784 2.989 . . . . 0.0 113.832 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.42 142.41 58.43 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.931 0.892 . . . . 0.0 108.923 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.59 63.7 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.7 -27.93 65.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.1 -0.476 . . . . 0.0 111.65 176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.3 t -70.01 132.9 46.63 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 118.778 0.717 . . . . 0.0 109.165 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -131.56 135.59 47.14 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 169.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.8 tt -145.11 142.38 22.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 C-N-CA 125.279 1.431 . . . . 0.0 107.752 -174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.6 m -157.69 141.9 16.1 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.18 0.992 . . . . 0.0 109.438 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.03 26.09 73.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 119.15 -0.806 . . . . 0.0 113.385 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 86.4 m -116.5 159.69 21.7 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.393 1.096 . . . . 0.0 112.016 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.8 m -132.85 149.77 52.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 127.111 2.164 . . . . 0.0 106.288 169.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -128.96 151.47 49.64 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.09 0.956 . . . . 0.0 109.007 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.61 167.2 31.17 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.326 1.05 . . . . 0.0 109.511 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.22 -178.78 4.08 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.927 0.87 . . . . 0.0 111.796 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.9 mmm . . . . . 0 C--O 1.247 0.954 0 C-N-CA 127.928 2.491 . . . . 0.0 104.747 169.874 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.94 179.62 48.7 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 p -142.52 -59.58 0.45 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.8 1.24 . . . . 0.0 107.825 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.75 151.42 32.35 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.14 1.376 . . . . 0.0 108.113 174.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.19 70.7 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -77.59 135.72 38.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.908 -0.495 . . . . 0.0 109.667 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.3 m -130.58 93.2 3.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 127.159 2.183 . . . . 0.0 106.318 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.8 t30 53.5 18.22 1.33 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.434 2.294 . . . . 0.0 116.067 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -74.22 159.38 32.58 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 120.516 -1.365 . . . . 0.0 110.413 170.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -103.63 134.33 47.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.96 119.9 24.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 104.255 -2.498 . . . . 0.0 104.255 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.7 p -68.19 167.99 13.13 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.057 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.91 60.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.311 1.044 . . . . 0.0 113.522 -178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -106.89 -13.83 15.12 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.8 m -63.85 163.44 11.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.145 0.497 . . . . 0.0 110.028 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -132.56 141.54 48.76 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.9 t -137.32 116.12 12.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.5 t -142.04 117.78 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 63.8 -25.85 0.07 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 128.128 2.571 . . . . 0.0 114.577 -173.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.6 m -58.51 170.16 0.8 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 126.677 1.991 . . . . 0.0 113.497 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 m -123.2 137.12 54.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.88 117.41 12.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -172.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.6 m -113.83 104.84 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.42 42.15 3.65 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.125 2.17 . . . . 0.0 112.907 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.4 m -84.13 172.52 11.87 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -132.47 117.77 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 30' ' ' SER . 43.9 mt -127.58 110.26 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 -169.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -120.04 123.41 43.37 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 125.605 1.562 . . . . 0.0 108.67 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.8 t30 38.64 33.29 0.07 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.254 2.222 . . . . 0.0 113.956 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.442 ' HB2' HG23 ' A' ' 27' ' ' ILE . 75.3 m -118.39 158.86 24.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.853 0.861 . . . . 0.0 111.418 -169.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.24 6.74 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -172.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -96.33 93.47 6.89 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.08 177.33 6.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 O-C-N 121.323 -0.86 . . . . 0.0 112.034 -169.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t0 57.76 51.36 9.38 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.108 1.363 . . . . 0.0 111.055 171.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.257 1.8 m 47.52 47.91 17.13 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.011 1.724 . . . . 0.0 115.046 -174.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -75.18 163.06 27.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 167.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.0 mt -140.44 131.61 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 -176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.6 p -134.03 151.28 51.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.0 0.818 . . . . 0.0 110.741 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 m -138.86 113.77 9.27 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 56.38 13.98 1.46 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.1 m -84.4 155.15 22.42 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 119.88 1.218 . . . . 0.0 110.3 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -101.4 133.92 45.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.414 1.486 . . . . 0.0 107.102 171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -125.28 132.1 52.97 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 106.519 -1.659 . . . . 0.0 106.519 169.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 m -138.79 117.12 11.92 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.6 t70 45.46 39.65 4.84 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.355 1.862 . . . . 0.0 113.322 -174.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.87 171.7 7.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.139 1.375 . . . . 0.0 111.928 -169.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.96 143.27 40.63 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.353 1.061 . . . . 0.0 109.222 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.81 131.15 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.272 1.029 . . . . 0.0 108.534 -169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -132.8 126.57 32.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 123.601 0.761 . . . . 0.0 109.09 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 tttt 32.47 50.1 0.18 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.071 2.148 . . . . 0.0 113.527 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -122.76 159.81 27.25 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.1 t -121.26 136.25 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.8 t -140.86 145.68 36.53 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.584 0.629 . . . . 0.0 110.845 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.1 m -136.43 112.83 9.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 46.03 56.13 6.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.279 2.232 . . . . 0.0 112.669 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.8 m -108.18 171.32 7.48 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.248 1.019 . . . . 0.0 110.362 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -130.67 110.46 11.39 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.4 mt -122.62 114.24 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -169.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -122.44 131.09 53.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.848 0.859 . . . . 0.0 108.914 -169.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 51.04 27.06 3.06 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.885 1.674 . . . . 0.0 113.678 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.5 m -115.53 163.7 15.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.588 0.755 . . . . 0.0 111.162 -169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -121.42 137.24 54.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.07 131.77 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -169.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -142.9 132.91 24.27 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.578 0.751 . . . . 0.0 109.187 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.8 mt 48.46 23.55 0.61 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.35 1.46 . . . . 0.0 114.403 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.4 m -104.79 162.03 13.66 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.972 -1.08 . . . . 0.0 110.652 -169.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.8 m -127.03 128.37 46.21 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.943 1.297 . . . . 0.0 107.707 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.82 129.75 50.04 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.195 0.998 . . . . 0.0 108.905 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.0 m -135.11 117.12 15.31 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.63 36.0 53.34 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.187 -0.785 . . . . 0.0 113.135 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -126.7 174.07 9.02 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.756 1.222 . . . . 0.0 109.977 -170.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -142.98 131.36 22.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -120.39 140.83 50.75 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.67 116.14 11.25 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 170.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.13 43.17 99.51 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 118.689 -1.062 . . . . 0.0 113.395 174.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -120.81 164.32 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.998 1.399 . . . . 0.0 111.318 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -120.33 125.68 48.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 103.385 -2.82 . . . . 0.0 103.385 168.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.6 tt -138.05 132.21 42.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -131.76 132.11 43.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.072 0.949 . . . . 0.0 108.925 -170.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 m 51.86 30.97 7.66 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.876 1.27 . . . . 0.0 113.932 169.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -117.03 174.84 5.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.619 0.768 . . . . 0.0 111.694 -169.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -134.51 135.55 42.45 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.44 1.096 . . . . 0.0 108.117 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 73.2 p -134.73 131.22 37.36 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.0 m -132.64 126.66 33.16 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.18 34.83 53.79 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 117.692 -1.616 . . . . 0.0 114.448 173.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -134.81 149.45 50.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 120.664 2.232 . . . . 0.0 111.448 -169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -104.65 139.63 39.21 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 169.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.82 128.6 37.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.7 m -138.9 168.85 18.9 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.565 1.146 . . . . 0.0 109.561 -173.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -142.9 -83.91 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 169.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.35 168.89 71.47 Favored 'Cis proline' 0 CA--C 1.54 0.79 0 CA-C-N 119.838 1.819 . . . . 0.0 111.037 -10.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 82.45 12.61 80.13 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 123.699 0.666 . . . . 0.0 111.679 -174.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.4 t -63.23 144.04 57.28 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.231 1.012 . . . . 0.0 108.995 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -139.41 126.32 20.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.294 1.438 . . . . 0.0 107.21 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.9 mt -137.48 138.85 44.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.6 m -139.4 144.24 38.03 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.468 0.707 . . . . 0.0 109.996 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.1 p 45.78 39.13 4.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.776 2.03 . . . . 0.0 113.699 170.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 8.4 t -112.31 163.47 14.35 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.968 0.907 . . . . 0.0 110.568 -174.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.1 m -129.86 129.1 43.52 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 171.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -136.4 133.39 49.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 -169.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.8 m -134.72 123.64 23.98 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 41.74 42.72 2.22 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.999 1.72 . . . . 0.0 113.92 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.41 0.01 70.72 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 118.978 -0.901 . . . . 0.0 113.447 173.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.2 112.9 42.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.76 143.93 49.4 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 169.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -68.05 134.65 91.7 Favored Pre-proline 0 CA--C 1.541 0.627 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -74.52 78.31 2.75 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.822 3.015 . . . . 0.0 110.105 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.78 137.39 38.18 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.06 1.344 . . . . 0.0 108.309 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.07 -22.25 66.73 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.469 0.708 . . . . 0.0 112.598 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.02 -32.62 74.02 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.985 -0.531 . . . . 0.0 111.529 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.99 132.03 45.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.608 0.64 . . . . 0.0 110.276 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -126.97 137.99 53.2 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.3 141.45 30.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.9 m -154.22 141.11 19.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.556 1.142 . . . . 0.0 109.065 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 68.17 21.55 73.88 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.865 -0.964 . . . . 0.0 113.993 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.73 162.86 14.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.771 1.286 . . . . 0.0 112.32 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -133.35 134.1 43.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.969 -2.234 . . . . 0.0 104.969 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.5 mp -127.77 141.01 51.7 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 m -149.13 167.39 26.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.569 1.148 . . . . 0.0 109.972 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.49 -178.5 1.78 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.173 0.589 . . . . 0.0 110.453 169.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.922 1.289 . . . . 0.0 108.08 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.667 0.27 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.7 -31.02 0.51 Allowed Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.728 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -55.83 134.25 51.67 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.537 1.135 . . . . 0.0 110.373 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.7 m -65.38 166.83 9.49 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.175 0.59 . . . . 0.0 111.302 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -123.7 56.64 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -80.52 128.73 33.93 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.586 -0.696 . . . . 0.0 109.358 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -84.85 -56.6 3.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.765 1.226 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -159.64 11.76 0.13 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.884 1.274 . . . . 0.0 111.986 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -71.08 157.38 38.28 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.939 -1.1 . . . . 0.0 110.799 -174.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -99.91 123.92 44.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.5 mm -124.65 120.05 57.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 103.917 -2.623 . . . . 0.0 103.917 -176.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -68.78 167.08 16.19 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 119.708 -0.797 . . . . 0.0 111.291 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -26.82 56.51 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.619 1.167 . . . . 0.0 113.812 -177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -110.17 -1.92 17.15 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.486 0.714 . . . . 0.0 112.176 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.4 m -79.21 167.21 21.29 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 169.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -144.26 161.19 39.55 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.608 0.763 . . . . 0.0 109.439 174.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.2 p -133.83 32.9 3.49 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.686 1.995 . . . . 0.0 111.219 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 t -48.04 119.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 126.145 1.778 . . . . 0.0 111.371 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 pttt 35.87 40.05 0.08 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.535 2.334 . . . . 0.0 114.292 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -127.1 156.45 41.71 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.779 0.832 . . . . 0.0 108.989 -177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.2 m -93.96 142.87 26.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.23 130.88 25.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.67 85.43 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -169.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.75 44.21 28.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.057 1.743 . . . . 0.0 111.871 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.6 m -87.44 175.04 8.15 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.576 1.151 . . . . 0.0 108.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -126.21 120.9 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.48 HG23 ' HB2' ' A' ' 30' ' ' SER . 5.8 mt -132.09 110.07 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 -174.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -119.45 124.94 47.72 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.902 1.281 . . . . 0.0 109.409 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 t30 38.15 36.14 0.11 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.255 2.222 . . . . 0.0 113.613 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -123.01 153.14 40.19 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 121.881 0.848 . . . . 0.0 111.72 -169.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -119.23 91.97 3.68 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -169.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -82.33 119.92 24.75 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 169.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.57 162.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 118.815 0.734 . . . . 0.0 111.574 -171.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t0 36.38 88.32 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 128.76 2.824 . . . . 0.0 114.583 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.77 32.28 9.32 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 169.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -76.73 169.7 17.82 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.25 140.6 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.9 p -128.48 152.41 48.29 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 169.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.6 m -141.49 109.28 5.7 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.8 tpt85 55.11 16.24 1.51 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.995 1.318 . . . . 0.0 114.047 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -83.25 160.79 21.68 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.025 -1.047 . . . . 0.0 109.69 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -118.07 124.7 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.899 1.68 . . . . 0.0 107.26 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -113.94 144.05 43.7 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.8 m -146.71 119.04 8.37 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 45.34 42.84 7.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.615 1.966 . . . . 0.0 113.413 -175.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.71 172.86 9.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.343 1.457 . . . . 0.0 111.988 -169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -138.8 139.66 38.31 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.201 -0.937 . . . . 0.0 109.63 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.27 129.47 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.1 128.77 32.82 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.915 0.886 . . . . 0.0 109.711 -171.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.8 tttt 30.99 52.13 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.346 2.258 . . . . 0.0 113.087 -171.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.6 m -127.04 164.04 22.41 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 -174.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.2 130.28 74.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -171.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -144.37 142.83 30.62 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.402 -0.919 . . . . 0.0 112.544 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -136.67 119.3 16.02 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 107.855 177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t0 43.98 59.38 3.19 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.08 2.152 . . . . 0.0 112.234 177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.6 m -114.46 168.9 9.46 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.468 0.707 . . . . 0.0 110.286 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -129.06 114.15 16.03 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.08 107.93 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 -168.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.64 127.05 50.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -170.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mttp 50.56 31.59 5.81 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.9 1.28 . . . . 0.0 112.968 175.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -122.01 163.62 19.05 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.007 0.923 . . . . 0.0 110.613 -169.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -124.82 139.83 53.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.6 t -138.26 129.96 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -170.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -136.96 136.93 38.98 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.82 31.19 3.0 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.04 1.336 . . . . 0.0 114.177 173.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -116.25 164.23 14.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.88 1.272 . . . . 0.0 110.949 -169.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.6 m -125.48 135.76 52.65 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.46 1.104 . . . . 0.0 108.67 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 t -132.85 128.61 37.04 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.216 1.007 . . . . 0.0 109.263 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.7 m -137.72 123.55 20.03 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 52.24 37.82 47.88 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 123.56 0.6 . . . . 0.0 112.795 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.1 m -130.79 169.76 15.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.171 1.388 . . . . 0.0 109.301 -169.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -136.39 146.05 46.03 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -124.72 130.8 53.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -133.9 116.08 15.2 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.81 45.62 94.67 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.8 -1.0 . . . . 0.0 113.244 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.71 160.84 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.296 1.548 . . . . 0.0 109.803 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.27 12.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 tt -117.6 134.63 60.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 123.93 0.892 . . . . 0.0 109.074 -171.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -138.8 139.9 38.39 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.554 0.342 . . . . 0.0 111.513 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.3 m 51.65 34.27 12.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.208 1.403 . . . . 0.0 113.084 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.3 m -122.7 179.46 4.61 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.008 0.923 . . . . 0.0 112.123 -169.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -146.08 137.7 24.89 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 120.578 -1.326 . . . . 0.0 108.697 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 p -138.25 129.04 26.75 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -136.58 117.91 14.64 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.34 45.25 96.34 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.076 -0.847 . . . . 0.0 111.831 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.474 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -140.98 114.98 9.13 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.693 1.247 . . . . 0.0 111.247 -169.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 65.6 m -88.35 130.62 35.1 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.9 132.46 43.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -169.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.4 m -138.51 150.86 46.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.456 1.102 . . . . 0.0 109.586 -174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.95 -98.17 2.54 Favored Glycine 0 CA--C 1.532 1.144 0 N-CA-C 108.373 -1.891 . . . . 0.0 108.373 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.09 161.68 93.36 Favored 'Cis proline' 0 CA--C 1.54 0.794 0 CA-C-N 119.961 1.881 . . . . 0.0 111.474 -7.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.42 19.34 76.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.289 0.947 . . . . 0.0 112.039 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 t -74.24 157.47 35.81 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.025 0.912 . . . . 0.0 110.311 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 t -132.03 140.87 49.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.005 1.322 . . . . 0.0 108.032 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.4 mt -137.84 137.44 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 m -139.32 145.4 39.02 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.044 0.538 . . . . 0.0 110.922 177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 17.3 p 43.64 44.48 5.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.795 1.638 . . . . 0.0 114.18 168.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 11.8 t -126.16 156.17 40.57 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 121.686 -0.634 . . . . 0.0 111.059 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.6 m -123.25 135.46 54.27 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.3 mt -136.75 130.19 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 m -131.81 122.85 26.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 38.96 51.75 1.9 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.769 1.628 . . . . 0.0 112.503 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.474 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 83.56 -7.02 70.52 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.797 -1.002 . . . . 0.0 114.343 173.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.82 109.09 23.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 119.384 1.592 . . . . 0.0 107.058 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 144.92 49.38 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.6 p -67.48 155.04 92.01 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 122.823 0.449 . . . . 0.0 110.918 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.96 30.08 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.378 3.385 . . . . 0.0 112.059 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.57 -14.27 62.9 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 59.56 -26.51 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 129.563 3.145 . . . . 0.0 114.846 -170.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.36 -24.16 67.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.716 1.207 . . . . 0.0 111.398 169.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -52.75 121.18 6.73 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.976 0.91 . . . . 0.0 110.475 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -131.63 134.19 45.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 169.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 77.9 mt -141.52 136.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 -178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.8 m -141.96 123.18 14.72 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.495 1.118 . . . . 0.0 108.375 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.64 17.49 78.08 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.57 -1.128 . . . . 0.0 114.897 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 163.88 12.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 119.287 1.543 . . . . 0.0 112.469 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.3 m -137.43 143.4 41.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 128.587 2.755 . . . . 0.0 104.557 169.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -147.9 166.15 28.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.975 0.807 . . . . 0.0 111.995 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.1 m -144.77 141.13 28.97 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.996 1.719 . . . . 0.0 108.251 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.82 145.91 40.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.08 0.552 . . . . 0.0 110.343 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 C--O 1.249 1.037 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 169.234 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.79 -174.64 45.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -57.55 136.5 56.75 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 169.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 t -163.37 157.57 20.17 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.36 122.84 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -140.85 129.26 22.51 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.279 0.632 . . . . 0.0 109.671 -174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.1 p -79.81 -67.59 0.75 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -159.16 34.11 0.21 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.213 2.205 . . . . 0.0 109.855 -175.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -79.64 160.71 26.25 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 120.78 -1.2 . . . . 0.0 110.381 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -97.78 132.81 43.06 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 105.877 -1.898 . . . . 0.0 105.877 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.47 111.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 169.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 p -70.77 169.1 15.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.109 0.48 . . . . 0.0 111.297 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.64 -26.77 46.13 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.111 1.364 . . . . 0.0 114.415 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -117.17 6.78 12.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.698 0.799 . . . . 0.0 111.997 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.3 m -82.55 172.05 13.42 Favored 'General case' 0 N--CA 1.45 -0.425 0 O-C-N 121.755 -0.59 . . . . 0.0 109.623 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -141.24 154.03 45.56 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.022 0.929 . . . . 0.0 109.485 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.96 28.82 2.59 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.451 1.501 . . . . 0.0 111.618 172.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -56.36 130.49 19.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 124.075 0.95 . . . . 0.0 110.905 -172.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.9 pttt 37.47 40.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.726 2.41 . . . . 0.0 112.961 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -132.8 167.17 20.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.159 1.384 . . . . 0.0 108.674 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.3 m -125.04 134.48 52.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.6 122.59 26.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.408 0.683 . . . . 0.0 109.355 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 m -114.56 96.2 5.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 40.5 48.19 2.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.573 1.949 . . . . 0.0 113.314 -173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.1 m -85.07 174.37 9.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -133.87 112.09 11.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HB2' ' A' ' 30' ' ' SER . 33.9 mt -122.62 110.91 28.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -169.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -115.2 116.47 28.41 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.256 1.822 . . . . 0.0 108.495 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.9 t30 41.95 34.11 0.42 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.322 1.849 . . . . 0.0 114.351 -173.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.453 ' HB2' HG23 ' A' ' 27' ' ' ILE . 68.4 m -121.62 151.47 40.37 Favored 'General case' 0 CA--C 1.526 0.053 0 O-C-N 121.293 -0.879 . . . . 0.0 112.039 -169.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -116.31 93.11 4.1 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -169.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.78 108.04 16.57 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.3 m -136.61 165.62 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.341 1.428 . . . . 0.0 112.172 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t0 52.84 72.5 0.41 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 126.435 1.894 . . . . 0.0 113.3 172.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.25 1.1 m 50.72 36.86 15.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.336 1.854 . . . . 0.0 114.0 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -78.78 151.52 31.94 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 168.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.2 mt -139.18 130.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -172.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.9 p -132.38 150.86 52.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.678 0.672 . . . . 0.0 110.301 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -138.62 111.42 7.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 55.98 16.21 2.07 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.9 m -85.12 154.91 21.72 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 119.339 0.972 . . . . 0.0 109.996 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -100.56 133.98 44.19 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.359 1.464 . . . . 0.0 107.101 170.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.69 133.05 53.34 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 169.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -139.29 117.84 12.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 t70 43.61 41.88 3.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.582 1.953 . . . . 0.0 113.38 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.39 166.0 15.41 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.324 1.45 . . . . 0.0 111.884 -169.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.12 144.56 50.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.304 1.042 . . . . 0.0 109.184 -178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -141.51 132.71 27.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 123.977 0.911 . . . . 0.0 109.081 -169.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -130.66 125.95 35.33 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 174.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt 35.38 49.53 0.49 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.237 2.215 . . . . 0.0 113.568 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -123.36 158.46 31.02 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -176.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.6 t -121.76 133.18 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -172.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.1 t -138.96 144.08 38.83 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.7 m -136.51 114.94 11.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.802 1.241 . . . . 0.0 107.782 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t0 47.24 51.8 12.82 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.595 1.958 . . . . 0.0 112.697 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.0 m -107.44 172.51 6.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.587 0.755 . . . . 0.0 110.729 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -135.66 102.11 4.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.7 mt -117.6 118.46 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -168.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -127.06 131.95 50.8 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.92 0.888 . . . . 0.0 109.115 -169.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.4 mttp 50.75 29.16 4.04 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.915 1.686 . . . . 0.0 113.643 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -118.11 163.48 16.56 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.671 0.788 . . . . 0.0 110.935 -170.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -123.38 134.86 53.95 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 70.0 t -131.49 133.92 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 124.604 1.162 . . . . 0.0 108.223 -168.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.44 133.79 29.82 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.1 mt 47.06 27.67 0.79 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.021 1.328 . . . . 0.0 114.298 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -109.25 162.34 14.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.54 1.136 . . . . 0.0 110.94 -169.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.1 m -127.26 128.48 46.07 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.555 1.142 . . . . 0.0 108.052 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.1 t -126.58 130.64 50.91 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.08 0.952 . . . . 0.0 109.105 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.7 m -135.79 120.57 18.47 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.46 43.05 51.96 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.754 171.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -136.62 171.3 14.69 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.192 0.997 . . . . 0.0 111.077 -170.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -133.71 140.76 47.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.236 -0.915 . . . . 0.0 109.618 -176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -122.75 140.73 52.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 171.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.62 116.69 12.5 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.7 45.3 94.81 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 118.575 -1.125 . . . . 0.0 113.357 173.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.2 164.58 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 119.11 1.455 . . . . 0.0 111.453 -175.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -123.6 119.45 29.91 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 169.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -135.76 128.21 46.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -173.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -131.36 138.84 49.33 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 122.775 0.43 . . . . 0.0 110.526 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 53.05 30.38 9.46 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.493 1.517 . . . . 0.0 113.632 171.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.2 m -117.78 175.29 5.72 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.758 0.823 . . . . 0.0 111.951 -169.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.5 m -136.74 138.14 40.66 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.439 1.096 . . . . 0.0 108.742 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 p -138.24 127.3 24.15 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.314 1.046 . . . . 0.0 108.611 -177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 m -138.32 117.75 12.88 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.25 1.02 . . . . 0.0 109.314 -173.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 60.69 43.14 99.4 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 121.568 -0.708 . . . . 0.0 111.61 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -132.72 154.05 50.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 117.951 0.875 . . . . 0.0 111.134 -169.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -126.33 132.13 51.67 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 169.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.5 mm -127.36 130.96 70.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 -169.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -147.05 169.82 18.45 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.722 -0.611 . . . . 0.0 110.193 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.33 -79.16 0.04 OUTLIER Glycine 0 CA--C 1.531 1.09 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 169.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.68 171.0 63.46 Favored 'Cis proline' 0 CA--C 1.54 0.778 0 CA-C-N 119.89 1.845 . . . . 0.0 110.904 -10.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.74 20.66 73.46 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.63 143.79 53.14 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.177 0.991 . . . . 0.0 108.754 173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.1 m -136.71 127.25 26.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 125.385 1.474 . . . . 0.0 107.557 -174.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 mt -138.05 132.13 42.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 m -134.71 131.94 38.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.874 0.869 . . . . 0.0 108.96 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.255 7.6 p 48.21 32.01 2.88 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.844 1.658 . . . . 0.0 114.634 172.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 98.5 m -91.77 160.68 15.21 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.284 -0.885 . . . . 0.0 111.127 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.2 m -130.12 123.18 29.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 103.731 -2.692 . . . . 0.0 103.731 169.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.451 HG22 HG21 ' A' ' 86' ' ' THR . 7.9 mt -132.23 131.61 60.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -170.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.7 m -137.96 137.91 38.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -174.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 40.06 46.18 1.77 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.119 1.767 . . . . 0.0 113.66 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.527 ' H ' HG22 ' A' ' 86' ' ' THR . . . 86.43 1.87 85.57 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 117.509 -1.717 . . . . 0.0 115.093 172.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 p -131.73 138.39 52.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 120.443 2.122 . . . . 0.0 110.536 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.6 146.84 35.96 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.329 0.652 . . . . 0.0 109.81 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.0 m -68.43 136.07 90.91 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.05 18.95 0.61 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.698 2.932 . . . . 0.0 113.944 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.26 138.39 58.18 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.137 0.975 . . . . 0.0 109.169 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.36 -18.5 61.67 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.305 0.642 . . . . 0.0 112.367 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.74 -26.62 67.08 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.91 -0.567 . . . . 0.0 111.761 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 54.0 t -73.75 130.15 39.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.251 0.932 . . . . 0.0 109.277 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -131.01 132.32 44.9 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 169.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -143.72 146.32 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.244 1.018 . . . . 0.0 108.876 -173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m -157.55 146.04 19.34 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.281 1.032 . . . . 0.0 109.582 174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.12 73.29 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-O 118.949 -0.917 . . . . 0.0 113.747 173.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 77.7 m -115.01 159.62 20.57 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 118.576 1.188 . . . . 0.0 112.059 -171.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.8 m -130.53 144.82 51.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.176 2.19 . . . . 0.0 106.256 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -129.12 143.55 50.9 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.628 1.171 . . . . 0.0 108.474 -174.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.4 m -142.32 152.01 42.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.575 1.15 . . . . 0.0 108.876 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.38 30.51 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.464 0.706 . . . . 0.0 109.887 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 81.4 mmm . . . . . 0 C--O 1.251 1.149 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 169.276 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 119.423 -0.322 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.67 -168.58 40.23 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 m -121.77 59.04 0.99 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -146.24 165.43 29.24 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.106 1.363 . . . . 0.0 111.325 -169.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -82.15 72.37 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 168.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -80.76 121.49 25.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 m -78.93 -56.43 4.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.829 0.852 . . . . 0.0 109.541 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -162.53 15.54 0.08 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.049 1.339 . . . . 0.0 111.556 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -73.09 161.86 30.13 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.672 1.189 . . . . 0.0 111.055 -174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -107.86 135.11 49.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.435 1.494 . . . . 0.0 107.225 175.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.66 115.58 17.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -70.65 168.17 17.05 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.257 0.551 . . . . 0.0 111.579 -176.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 -27.25 61.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.93 1.292 . . . . 0.0 114.411 -172.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -114.18 4.16 15.44 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.547 0.739 . . . . 0.0 111.97 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.2 m -81.73 166.13 20.34 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 169.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -143.37 150.82 39.67 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.6 t -133.98 124.67 26.7 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.14 133.9 47.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 pttt 38.28 44.5 0.7 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.69 2.396 . . . . 0.0 113.591 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -136.9 177.73 7.63 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.107 1.363 . . . . 0.0 108.95 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -122.16 142.77 50.07 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.47 122.23 18.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.12 88.49 2.92 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -170.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.42 51.69 16.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.456 1.902 . . . . 0.0 111.588 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.3 m -100.38 175.1 5.81 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.175 0.99 . . . . 0.0 109.878 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.72 122.96 24.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 105.74 -1.948 . . . . 0.0 105.74 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' A' ' 30' ' ' SER . 21.3 mt -128.67 105.83 13.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 -169.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -110.63 115.66 29.98 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 125.734 1.614 . . . . 0.0 108.353 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.5 t30 41.3 34.62 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.221 1.808 . . . . 0.0 113.961 -171.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB2' HG23 ' A' ' 27' ' ' ILE . 70.1 m -120.57 158.81 26.53 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.081 0.953 . . . . 0.0 111.23 -169.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -124.91 130.75 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -129.84 115.93 17.95 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.583 1.153 . . . . 0.0 108.053 -174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -142.33 164.46 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -169.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t0 50.54 74.81 0.2 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 127.732 2.413 . . . . 0.0 114.728 169.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m 50.13 41.58 23.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.257 1.823 . . . . 0.0 114.302 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -78.44 157.24 29.03 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 167.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.2 mt -139.25 96.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.4 t -87.68 143.88 26.94 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -137.99 122.95 19.0 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 45.31 23.72 0.13 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.322 2.649 . . . . 0.0 116.165 175.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -99.53 162.34 13.08 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 118.951 0.796 . . . . 0.0 110.997 -171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -110.64 129.49 55.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 173.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -117.31 136.98 52.72 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.9 m -141.59 115.46 9.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 t70 44.09 43.52 5.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.842 2.057 . . . . 0.0 113.138 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.31 169.28 11.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.033 1.333 . . . . 0.0 112.222 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -131.08 140.61 50.07 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.108 0.963 . . . . 0.0 109.209 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.49 128.34 28.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -136.2 130.96 33.96 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.503 0.721 . . . . 0.0 109.509 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 35.76 48.85 0.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 126.664 1.986 . . . . 0.0 113.091 -176.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.8 m -128.32 155.87 43.96 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.9 t -123.41 136.15 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 -169.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.4 p -132.68 158.37 42.5 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 110.988 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.5 m -148.02 112.83 5.41 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 169.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 49.9 59.92 4.18 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 112.571 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 35.1 m -117.39 166.75 11.95 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.793 0.837 . . . . 0.0 110.582 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -131.13 122.31 26.45 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.7 mt -129.56 101.59 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -111.92 129.03 56.31 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 46.91 36.32 3.9 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.804 1.642 . . . . 0.0 113.306 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -121.73 166.79 13.78 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.513 0.725 . . . . 0.0 111.283 -171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -129.03 132.4 47.48 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.42 131.53 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -169.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -139.87 132.73 29.21 Favored 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.738 0.815 . . . . 0.0 108.824 -176.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt 49.25 27.37 1.84 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.324 1.05 . . . . 0.0 113.507 173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -111.95 160.54 17.34 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.413 1.085 . . . . 0.0 111.231 -168.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.4 m -124.97 129.65 50.77 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.534 1.133 . . . . 0.0 108.103 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.47 126.02 43.07 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.048 0.939 . . . . 0.0 108.884 -174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -132.6 119.1 20.02 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.58 39.63 60.96 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.936 -0.925 . . . . 0.0 112.631 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.0 m -133.9 163.35 29.71 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.169 0.984 . . . . 0.0 112.54 -169.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -120.27 136.7 54.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.201 1.0 . . . . 0.0 108.887 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -118.09 134.22 55.19 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 170.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -142.09 101.74 3.99 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.168 0.587 . . . . 0.0 109.568 -176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.32 43.83 68.45 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.997 -0.89 . . . . 0.0 112.896 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.77 163.69 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 118.902 1.351 . . . . 0.0 111.826 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -120.1 123.92 44.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 103.246 -2.872 . . . . 0.0 103.246 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.5 tt -136.92 132.07 47.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -136.97 133.54 35.71 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.835 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.6 m 52.33 32.46 11.07 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.914 1.285 . . . . 0.0 113.285 173.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -121.04 175.32 6.13 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.849 0.86 . . . . 0.0 112.053 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.7 m -137.72 138.58 39.48 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.205 1.002 . . . . 0.0 108.839 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 p -137.47 132.02 32.73 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.8 m -137.51 116.63 12.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.28 1.032 . . . . 0.0 108.687 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.03 53.59 45.17 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -139.73 159.49 42.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 117.888 0.844 . . . . 0.0 111.881 -169.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 m -130.75 128.56 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.5 mm -130.67 130.87 64.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 -173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.2 m -136.92 153.92 50.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.432 1.093 . . . . 0.0 110.847 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -119.67 -108.93 2.27 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 107.347 -2.301 . . . . 0.0 107.347 169.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -58.54 154.54 38.77 Favored 'Cis proline' 0 C--N 1.348 0.534 0 CA-C-N 120.596 2.198 . . . . 0.0 112.837 -10.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.91 18.93 71.37 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 123.583 0.611 . . . . 0.0 111.935 177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.36 148.54 49.52 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 173.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.8 m -143.25 127.03 17.13 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.7 mt -137.39 136.99 46.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 125.396 1.478 . . . . 0.0 107.189 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.3 m -139.03 141.74 38.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.115 0.566 . . . . 0.0 109.629 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 p 45.95 36.92 3.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.562 1.945 . . . . 0.0 114.132 170.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.4 t -112.29 160.94 17.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 110.351 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.2 m -128.18 135.89 50.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 169.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 mt -137.46 129.69 41.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 44.2 m -133.68 125.33 28.42 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 41.59 48.52 3.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.688 1.195 . . . . 0.0 112.173 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.531 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 81.05 -16.19 17.55 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-O 118.897 -0.946 . . . . 0.0 114.247 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.06 104.25 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 119.434 1.617 . . . . 0.0 107.361 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.04 149.37 43.25 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 p -63.83 144.43 98.0 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 122.87 0.468 . . . . 0.0 110.268 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 3.93 7.45 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.404 2.736 . . . . 0.0 113.71 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.8 141.93 56.35 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.421 1.088 . . . . 0.0 109.401 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.49 60.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.239 0.615 . . . . 0.0 112.439 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.16 72.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.591 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 44.3 t -71.49 123.84 23.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.215 0.916 . . . . 0.0 108.778 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -120.26 139.81 52.14 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.1 mm -134.99 131.71 52.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 103.344 -2.835 . . . . 0.0 103.344 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.4 m -138.56 22.55 2.71 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -169.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.73 48.01 0.01 OUTLIER Glycine 0 N--CA 1.467 0.76 0 CA-C-O 119.265 -0.742 . . . . 0.0 112.548 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 59.3 m -122.79 163.07 20.9 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.038 0.919 . . . . 0.0 112.618 -169.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 m -128.26 141.82 51.33 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.888 -2.264 . . . . 0.0 104.888 169.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -147.91 166.84 26.44 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.544 0.611 . . . . 0.0 111.298 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.0 m -157.24 164.42 37.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.597 1.559 . . . . 0.0 108.96 176.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.87 155.89 38.28 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.756 0.422 . . . . 0.0 110.111 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.255 1.022 . . . . 0.0 108.468 169.425 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.65 -178.13 48.62 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -140.12 42.68 1.93 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.589 1.555 . . . . 0.0 108.209 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.5 t -69.77 162.24 28.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.93 0.892 . . . . 0.0 111.746 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.89 73.9 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 103.253 -2.869 . . . . 0.0 103.253 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -75.06 117.09 16.52 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.033 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -83.92 -56.82 3.48 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -164.12 54.5 0.15 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.015 1.726 . . . . 0.0 107.35 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -123.66 169.1 11.82 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.293 1.437 . . . . 0.0 112.143 -168.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -126.41 133.73 51.2 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.957 1.303 . . . . 0.0 107.691 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 mm -129.87 118.27 43.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 -176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 p -72.68 166.08 23.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.183 0.516 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.01 -26.57 60.49 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.024 1.329 . . . . 0.0 114.394 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -115.3 3.72 14.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 111.96 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.4 m -78.53 168.76 19.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -140.11 151.11 45.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.1 t -134.62 118.02 16.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.059 -2.2 . . . . 0.0 105.059 169.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.7 t -130.54 120.13 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 50.3 3.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.492 2.317 . . . . 0.0 115.289 -170.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.4 m -98.77 159.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.006 0.922 . . . . 0.0 110.956 -168.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -105.89 141.92 36.48 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.4 102.61 6.96 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -99.14 81.87 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 50.77 77.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 126.048 1.739 . . . . 0.0 111.947 -169.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 94.0 m -130.9 167.76 18.43 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.567 1.147 . . . . 0.0 109.928 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -134.41 114.97 13.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 30' ' ' SER . 13.6 mt -120.67 108.69 23.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -169.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.03 117.47 33.42 Favored 'General case' 0 CA--C 1.526 0.041 0 C-N-CA 126.388 1.875 . . . . 0.0 108.563 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 40.22 33.95 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.741 2.016 . . . . 0.0 114.638 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.454 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.4 m -117.09 154.73 30.5 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.228 -0.92 . . . . 0.0 111.587 -169.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -121.08 95.25 4.62 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -169.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.9 tp -95.57 121.53 37.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.052 1.341 . . . . 0.0 107.685 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.9 167.28 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 119.024 0.829 . . . . 0.0 112.487 -169.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t0 53.81 61.71 2.96 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.787 2.035 . . . . 0.0 112.871 169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m 49.04 45.85 22.74 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.5 m -74.16 159.43 32.57 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.812 -1.922 . . . . 0.0 105.812 167.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.5 98.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.2 144.17 27.6 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -140.87 128.86 21.95 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 52.87 19.92 1.47 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.84 1.656 . . . . 0.0 114.62 173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 m -107.23 159.12 16.58 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.741 1.155 . . . . 0.0 113.3 -169.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -106.38 126.74 52.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.918 1.687 . . . . 0.0 106.889 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.47 132.59 56.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 169.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.6 m -140.77 117.31 10.85 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 44.79 41.14 4.81 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.94 2.096 . . . . 0.0 113.101 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.87 171.75 8.68 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.059 1.344 . . . . 0.0 112.321 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -133.37 139.13 46.64 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 123.862 0.865 . . . . 0.0 108.776 170.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.77 127.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -132.33 127.64 36.01 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.798 0.839 . . . . 0.0 108.963 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.0 tttm 34.11 52.15 0.46 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.819 2.048 . . . . 0.0 112.656 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -127.98 160.1 32.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.33 136.1 60.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 -169.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.0 p -133.42 151.89 51.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.366 0.53 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.5 m -138.9 113.24 8.82 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 169.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.03 65.76 1.33 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.371 1.868 . . . . 0.0 110.978 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.5 t -124.23 164.52 19.37 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.649 1.18 . . . . 0.0 109.615 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -127.35 129.09 46.98 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 170.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -124.15 100.18 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -109.89 128.03 55.09 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 51.02 26.45 2.75 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.803 1.641 . . . . 0.0 113.695 174.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -114.06 167.17 10.89 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.488 0.715 . . . . 0.0 111.499 -169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -126.75 127.39 44.99 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.42 132.04 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.037 0.935 . . . . 0.0 108.492 -168.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -139.18 132.58 30.13 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.185 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.1 mt 48.06 32.43 2.93 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.31 0.959 . . . . 0.0 113.197 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.3 m -116.99 160.11 21.46 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.208 1.003 . . . . 0.0 110.54 -169.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.5 m -127.38 132.62 50.12 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.302 1.041 . . . . 0.0 108.502 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.9 t -125.06 132.5 53.17 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.973 0.909 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -132.84 118.08 18.53 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 173.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.32 31.74 63.0 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 118.926 -0.93 . . . . 0.0 113.468 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.4 m -127.66 171.14 11.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.405 1.102 . . . . 0.0 111.121 -170.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -140.44 127.47 20.8 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.568 1.147 . . . . 0.0 107.948 -169.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -112.53 143.53 43.52 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.41 116.33 10.93 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.51 43.04 99.59 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 118.37 -1.239 . . . . 0.0 113.479 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.411 HG22 ' HB3' ' A' ' 93' ' ' CYS . 1.0 OUTLIER -119.79 162.2 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 119.428 1.614 . . . . 0.0 111.198 -176.473 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -120.05 122.77 41.84 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 104.348 -2.464 . . . . 0.0 104.348 169.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.2 tt -139.59 130.91 33.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 118.509 0.595 . . . . 0.0 109.525 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -131.53 146.56 52.28 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m 53.22 31.46 11.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.852 1.261 . . . . 0.0 113.17 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -123.15 175.14 6.82 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.715 0.689 . . . . 0.0 112.729 -169.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -136.56 139.64 42.34 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.358 1.063 . . . . 0.0 108.437 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.8 p -135.6 131.85 36.36 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -134.33 126.08 28.93 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.629 0.772 . . . . 0.0 108.919 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.47 42.23 50.43 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-O 118.279 -1.29 . . . . 0.0 114.0 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.0 t -139.53 157.01 46.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 120.341 2.071 . . . . 0.0 111.544 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -114.62 137.93 51.29 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.38 123.15 26.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 -171.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 m -142.06 166.64 24.16 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 111.094 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -146.3 -84.76 0.06 OUTLIER Glycine 0 CA--C 1.532 1.101 0 N-CA-C 107.642 -2.183 . . . . 0.0 107.642 169.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -61.93 165.35 36.41 Favored 'Cis proline' 0 CA--C 1.537 0.667 0 CA-C-N 120.293 2.047 . . . . 0.0 112.397 -10.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.54 7.72 64.73 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.095 0.855 . . . . 0.0 112.171 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 76' ' ' ILE . 11.9 t -60.79 140.03 57.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -134.2 128.01 33.11 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -137.81 138.81 43.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 124.915 1.286 . . . . 0.0 107.597 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.9 m -140.53 144.44 35.95 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.649 0.379 . . . . 0.0 110.127 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 p 46.82 41.34 10.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.165 1.386 . . . . 0.0 113.757 169.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 13.8 t -125.38 164.18 20.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.256 1.023 . . . . 0.0 110.807 -170.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 93.3 m -126.17 137.17 53.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 169.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mp -131.66 129.63 61.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.7 m -131.96 120.58 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 41.0 46.79 2.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.394 1.478 . . . . 0.0 113.169 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 86.74 -0.6 86.66 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.736 173.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.8 t -107.99 109.57 28.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.02 146.45 45.91 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.6 p -64.23 143.88 98.37 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.279 0.632 . . . . 0.0 110.455 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -82.03 8.49 4.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.529 2.819 . . . . 0.0 113.839 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.47 140.29 58.01 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.193 0.997 . . . . 0.0 109.178 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -18.45 61.25 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.263 0.625 . . . . 0.0 112.577 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.14 70.35 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.423 0.556 . . . . 0.0 111.499 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.07 120.61 15.19 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -112.29 144.25 42.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 169.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.7 tt -149.61 152.1 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 124.184 0.994 . . . . 0.0 110.225 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -158.31 152.62 24.3 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.927 1.291 . . . . 0.0 109.468 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.82 36.67 50.6 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 125.758 1.647 . . . . 0.0 114.215 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 4.1 t -123.98 156.99 35.42 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.105 0.953 . . . . 0.0 112.757 -169.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.0 m -132.69 139.69 47.78 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 126.441 1.896 . . . . 0.0 106.872 170.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.53 149.31 45.2 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.72 0.808 . . . . 0.0 108.913 -171.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.8 m -147.0 157.22 43.55 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 110.258 -173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.34 138.8 43.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 C--O 1.247 0.946 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.502 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.956 0.408 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.39 23.24 0.96 Allowed Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.836 1.208 . . . . 0.0 110.485 169.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 p -140.49 -16.62 0.91 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.137 0.969 . . . . 0.0 112.595 -169.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.67 152.0 32.07 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.656 1.117 . . . . 0.0 110.229 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.31 81.92 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -74.94 108.7 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 m -75.98 -58.03 3.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.775 0.43 . . . . 0.0 109.989 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -162.65 40.74 0.11 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.559 1.543 . . . . 0.0 109.318 -174.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -113.86 170.21 8.43 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.478 1.911 . . . . 0.0 111.199 -169.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -112.22 133.68 54.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 173.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.28 116.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 103.198 -2.89 . . . . 0.0 103.198 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.6 p -68.69 168.61 12.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 111.401 -172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.15 -27.06 52.76 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.568 1.147 . . . . 0.0 113.734 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -108.76 -5.79 16.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.166 0.587 . . . . 0.0 112.331 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 m -73.88 170.58 15.07 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -151.63 142.13 22.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.914 -1.116 . . . . 0.0 108.648 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -138.91 146.26 40.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 169.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -148.77 138.24 15.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -176.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 40.52 34.0 0.21 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.644 1.978 . . . . 0.0 115.349 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 m -138.03 166.05 25.07 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.231 1.812 . . . . 0.0 109.184 -171.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -126.27 136.56 52.93 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.06 126.24 42.71 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.73 86.97 2.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -170.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 47.37 55.28 8.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.473 1.909 . . . . 0.0 112.195 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.1 m -100.53 170.92 8.05 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.167 0.587 . . . . 0.0 109.417 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -134.05 113.52 12.2 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 30' ' ' SER . 37.1 mt -124.45 110.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -169.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -119.92 122.8 42.04 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.929 1.291 . . . . 0.0 109.023 -174.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t30 41.02 36.85 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.769 2.028 . . . . 0.0 113.076 -169.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.428 ' HB2' HG23 ' A' ' 27' ' ' ILE . 73.6 m -127.69 170.09 13.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.908 0.883 . . . . 0.0 112.145 -169.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -131.91 140.4 49.04 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 121.835 -0.541 . . . . 0.0 111.734 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.71 96.4 3.81 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.803 1.641 . . . . 0.0 107.638 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 169.16 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 113.142 0.794 . . . . 0.0 113.142 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.0 t0 57.34 53.21 7.82 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.965 1.706 . . . . 0.0 112.353 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.371 2.4 m 52.32 49.62 20.12 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -174.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 m -78.68 157.0 28.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 166.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.4 mt -136.3 131.88 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 46.0 t -130.21 138.68 50.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -173.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -139.04 126.39 21.56 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 44.19 38.34 2.33 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.633 1.973 . . . . 0.0 115.054 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.2 m -120.33 166.13 13.93 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.919 0.888 . . . . 0.0 111.492 -173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -119.04 125.91 50.46 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.703 1.601 . . . . 0.0 107.633 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.4 m-30 -115.48 134.85 54.69 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 m -140.37 116.12 10.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.5 t70 45.77 39.22 4.99 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.135 1.774 . . . . 0.0 113.357 -175.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.79 170.85 11.76 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.589 1.556 . . . . 0.0 112.107 -169.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -138.01 139.35 39.59 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.945 -1.097 . . . . 0.0 109.802 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.8 t -136.25 129.91 47.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -174.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -133.42 127.99 34.55 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.251 1.02 . . . . 0.0 108.401 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 36.81 43.71 0.3 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.879 2.072 . . . . 0.0 114.005 -177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -122.39 155.26 36.44 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 121.327 -0.858 . . . . 0.0 109.344 -173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 113.74 40.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 -171.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.254 1.3 m -129.02 134.17 48.03 Favored 'General case' 0 N--CA 1.432 -1.367 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -168.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -136.06 126.36 26.55 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.862 1.265 . . . . 0.0 107.805 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t0 47.24 61.72 2.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.531 1.533 . . . . 0.0 112.601 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.6 m -127.1 165.3 19.79 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.846 -0.534 . . . . 0.0 111.332 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -132.05 112.17 12.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.9 mt -122.24 107.59 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -118.07 129.78 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 44.82 35.53 1.51 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.281 1.832 . . . . 0.0 114.209 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.7 m -119.78 165.16 14.91 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 123.646 0.778 . . . . 0.0 110.74 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -124.98 140.65 52.73 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 169.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.9 t -135.62 130.95 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -169.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.75 130.27 29.59 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp 48.49 27.69 1.5 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.003 1.721 . . . . 0.0 113.521 173.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.8 m -107.57 164.18 12.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.917 1.287 . . . . 0.0 110.6 -169.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 m -124.55 129.25 50.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.7 t -125.78 128.11 47.2 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.259 1.024 . . . . 0.0 108.317 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 m -137.0 120.16 16.69 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.73 39.81 62.34 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.228 173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.0 m -135.57 169.62 17.23 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.842 -169.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -133.9 141.7 47.46 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.366 -0.834 . . . . 0.0 109.684 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -124.22 132.18 53.58 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -141.65 97.83 3.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.152 0.581 . . . . 0.0 109.691 -175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.9 46.89 63.75 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-O 118.929 -0.928 . . . . 0.0 112.339 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.96 167.54 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 118.67 1.235 . . . . 0.0 111.354 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -126.4 123.46 37.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -137.11 132.74 47.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -134.52 133.53 40.43 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.125 0.97 . . . . 0.0 109.319 -169.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m 51.02 31.48 6.41 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.329 1.452 . . . . 0.0 113.676 170.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -117.29 175.23 5.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.946 0.898 . . . . 0.0 111.538 -169.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.0 m -135.74 134.91 39.55 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.1 p -136.98 126.15 24.62 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.2 m -137.06 117.22 13.44 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.239 1.016 . . . . 0.0 108.769 -171.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.51 46.97 93.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 121.664 -0.648 . . . . 0.0 111.482 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -138.45 142.88 39.46 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.945 0.872 . . . . 0.0 110.152 -169.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.1 m -119.95 131.67 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.6 mt -134.64 132.09 54.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 -169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.4 m -130.66 166.56 20.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.515 1.526 . . . . 0.0 110.767 -176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.84 -149.45 0.03 OUTLIER Glycine 0 CA--C 1.543 1.841 0 C-N-CA 127.858 2.647 . . . . 0.0 114.581 175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.84 -15.28 29.66 Favored 'Cis proline' 0 C--N 1.351 0.677 0 CA-C-N 119.523 1.661 . . . . 0.0 115.44 10.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.1 35.35 1.77 Allowed Glycine 0 N--CA 1.467 0.724 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 -176.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.88 128.28 35.18 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 123.714 0.805 . . . . 0.0 110.878 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.7 m -139.07 123.74 18.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.5 mt -136.04 133.23 50.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 -173.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.1 m -137.93 137.24 37.8 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.686 0.794 . . . . 0.0 109.407 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.267 7.7 p 47.94 32.56 2.87 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 97.5 m -92.45 161.04 14.8 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 121.383 -0.823 . . . . 0.0 111.045 175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.2 m -129.38 127.67 41.49 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 103.713 -2.699 . . . . 0.0 103.713 169.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.4 HG22 HG21 ' A' ' 86' ' ' THR . 5.8 mt -136.82 128.12 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 -170.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.2 m -137.38 134.94 36.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 107.294 -1.372 . . . . 0.0 107.294 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 44.72 44.51 7.6 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.917 1.287 . . . . 0.0 112.216 174.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.48 ' H ' HG22 ' A' ' 86' ' ' THR . . . 80.89 10.96 84.41 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 117.65 -1.639 . . . . 0.0 115.224 173.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.63 139.06 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 120.662 2.231 . . . . 0.0 110.361 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.24 155.41 23.69 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.719 0.808 . . . . 0.0 110.204 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.3 p -64.73 153.84 86.79 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.036 0.534 . . . . 0.0 110.015 169.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.58 12.15 2.68 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.531 2.82 . . . . 0.0 113.07 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.4 136.55 51.8 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.105 0.962 . . . . 0.0 109.548 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.34 -17.47 62.62 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.294 0.637 . . . . 0.0 112.223 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.39 67.04 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.171 0.588 . . . . 0.0 111.691 175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 52.6 t -73.18 129.49 38.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 119.2 0.909 . . . . 0.0 108.961 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -129.33 126.41 38.88 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 171.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.7 tt -141.49 139.2 32.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 124.013 0.925 . . . . 0.0 109.325 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.7 m -149.09 145.6 27.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.781 1.232 . . . . 0.0 108.94 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.36 19.96 64.91 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.611 -1.105 . . . . 0.0 115.386 169.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.53 160.94 14.78 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 112.123 -174.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -138.31 131.58 30.29 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 169.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.46 162.92 37.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.95 0.796 . . . . 0.0 111.713 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m -148.92 163.49 37.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 126.119 1.768 . . . . 0.0 108.963 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.19 156.93 38.62 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.938 0.399 . . . . 0.0 110.238 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 C--O 1.248 0.994 0 C-N-CA 124.363 1.065 . . . . 0.0 108.858 169.386 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.6 t0 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.2 -5.85 63.5 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-O 118.869 -0.962 . . . . 0.0 113.284 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -63.71 150.39 44.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.392 1.596 . . . . 0.0 110.7 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 t -66.22 162.29 20.27 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.19 0.596 . . . . 0.0 109.448 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.4 t -121.72 82.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 105.006 -2.22 . . . . 0.0 105.006 170.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -103.82 129.89 51.31 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.604 0.761 . . . . 0.0 109.883 -171.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -80.82 -63.73 1.34 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -155.76 13.52 0.34 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.203 1.801 . . . . 0.0 112.004 -170.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' CB ' ' H ' ' A' ' 25' ' ' CYS . 4.3 m -65.91 160.44 23.38 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.383 1.073 . . . . 0.0 111.015 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -112.57 135.06 53.74 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.116 0.966 . . . . 0.0 109.261 173.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.88 120.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 p -70.4 168.43 16.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.199 0.523 . . . . 0.0 111.555 -176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.26 -26.8 61.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.531 1.132 . . . . 0.0 113.759 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -111.07 1.59 17.44 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.523 0.729 . . . . 0.0 112.125 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.4 m -81.73 167.25 19.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -144.14 151.54 39.68 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.635 -0.666 . . . . 0.0 109.3 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -132.76 120.32 21.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 169.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 t -137.31 125.94 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -171.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? 38.71 38.73 0.28 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.736 2.015 . . . . 0.0 112.998 -173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.4 m -135.72 162.92 31.41 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 125.301 1.441 . . . . 0.0 108.704 -170.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -116.99 138.9 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -172.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.56 112.57 9.66 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -108.52 94.9 5.3 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.13 57.55 4.67 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.119 1.768 . . . . 0.0 112.495 -177.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' H ' ' CB ' ' A' ' 9' ' ' SER . 23.8 m -102.1 173.6 6.31 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.735 1.214 . . . . 0.0 109.576 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -124.51 127.02 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mt -135.37 106.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 -173.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -119.46 124.99 47.85 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.971 1.308 . . . . 0.0 108.357 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t30 39.19 30.44 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.304 2.241 . . . . 0.0 113.958 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.6 m -117.43 155.15 30.16 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.731 0.812 . . . . 0.0 111.418 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -124.32 118.82 27.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 -169.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 tp -119.03 101.57 8.12 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.6 m -132.79 165.42 32.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -169.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t0 53.2 68.02 0.91 Allowed 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.375 1.87 . . . . 0.0 113.099 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.263 1.2 m 53.39 38.67 28.45 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.229 1.412 . . . . 0.0 114.185 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 65.3 m -76.89 155.08 33.12 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 167.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -140.2 129.77 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 105.515 -2.032 . . . . 0.0 105.515 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.8 p -129.05 149.92 50.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.42 0.554 . . . . 0.0 109.744 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.2 m -140.86 122.63 15.33 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 44.28 43.09 5.7 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.378 1.871 . . . . 0.0 112.82 175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -122.85 164.41 18.45 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.931 0.892 . . . . 0.0 110.58 -173.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -122.7 133.56 54.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.513 1.525 . . . . 0.0 108.289 -174.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CE1' HG21 ' A' ' 48' ' ' VAL . 84.4 m-85 -128.24 135.33 49.52 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.974 1.31 . . . . 0.0 107.623 173.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 m -138.22 118.05 13.24 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t0 45.88 42.66 9.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.784 2.033 . . . . 0.0 113.589 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -122.69 166.05 15.53 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.074 1.35 . . . . 0.0 112.132 -169.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -128.19 142.27 51.22 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.791 0.836 . . . . 0.0 109.575 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.442 HG21 ' CE1' ' A' ' 43' ' ' TYR . 4.0 t -142.27 129.44 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -170.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -135.19 128.93 32.94 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 38.12 43.17 0.54 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.85 2.06 . . . . 0.0 114.005 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.9 m -119.94 153.36 36.04 Favored 'General case' 0 C--N 1.334 -0.108 0 O-C-N 121.717 -0.614 . . . . 0.0 109.35 -173.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.95 118.94 57.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -170.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -131.0 133.92 46.22 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -169.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.8 m -136.26 122.62 20.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t0 42.7 64.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.146 1.778 . . . . 0.0 112.978 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -124.65 165.39 17.99 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.122 0.569 . . . . 0.0 111.362 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -132.15 113.27 13.1 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.67 111.84 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.03 131.1 53.82 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.569 0.748 . . . . 0.0 109.335 -174.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.6 mttm 44.31 37.17 1.85 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.172 1.789 . . . . 0.0 113.678 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -119.21 164.71 15.2 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.594 0.757 . . . . 0.0 110.349 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -124.35 135.66 53.5 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 174.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.5 t -134.36 128.26 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -169.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -137.5 129.38 28.82 Favored 'General case' 0 C--N 1.335 -0.06 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp 46.93 29.61 1.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.361 1.865 . . . . 0.0 113.592 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.4 m -108.06 162.92 13.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.712 1.205 . . . . 0.0 111.075 -169.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -123.04 131.25 53.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.956 1.302 . . . . 0.0 108.259 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.5 t -128.05 126.09 40.57 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.979 1.311 . . . . 0.0 108.034 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 m -137.31 119.13 15.17 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.12 43.62 50.43 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 175.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -135.09 170.99 15.06 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 125.039 1.335 . . . . 0.0 109.316 -169.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.14 146.64 40.87 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 121.127 -0.983 . . . . 0.0 108.394 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -124.43 132.86 53.51 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -139.62 99.89 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.38 46.9 66.58 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.725 -1.042 . . . . 0.0 112.567 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 pt -126.69 165.76 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 118.967 1.384 . . . . 0.0 111.594 -176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -121.61 125.06 45.82 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -137.49 133.23 45.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 -176.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -136.36 132.0 35.0 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.178 0.991 . . . . 0.0 109.209 -169.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m 51.12 30.94 6.01 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 113.584 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -116.77 174.11 6.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.754 0.821 . . . . 0.0 111.732 -169.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.3 m -133.46 138.33 46.13 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.88 1.272 . . . . 0.0 107.597 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 p -140.87 129.3 22.53 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.503 1.121 . . . . 0.0 108.001 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -141.12 117.22 10.57 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.765 1.226 . . . . 0.0 108.229 -172.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.12 99.73 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.458 ' CG2' ' H ' ' A' ' 103' ' ' GLY . 0.9 OUTLIER -136.19 104.6 5.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.363 1.081 . . . . 0.0 112.343 -168.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -84.46 128.09 34.39 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 168.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.2 mt -135.32 139.4 46.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.864 1.266 . . . . 0.0 107.772 -171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.8 m -136.08 170.0 16.71 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.883 2.073 . . . . 0.0 110.126 -172.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.82 -147.84 0.03 OUTLIER Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.099 2.285 . . . . 0.0 114.221 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.22 -13.3 29.28 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.735 1.767 . . . . 0.0 115.141 10.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -150.68 44.47 0.68 Allowed Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -70.01 130.55 42.47 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.685 0.794 . . . . 0.0 111.254 -169.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -139.07 128.69 24.57 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.404 1.882 . . . . 0.0 106.166 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.4 mt -137.54 131.47 44.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -137.74 136.22 37.12 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.777 0.831 . . . . 0.0 109.539 173.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . 0.27 8.0 p 47.33 32.03 2.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.705 2.002 . . . . 0.0 114.582 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 99.2 m -91.73 159.97 15.58 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 123.779 0.832 . . . . 0.0 111.06 176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 98.3 m -130.33 120.99 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 103.393 -2.817 . . . . 0.0 103.393 169.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.3 mt -132.0 131.52 61.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -169.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.0 m -135.62 130.67 34.76 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -177.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 45.56 42.37 8.0 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.027 1.331 . . . . 0.0 112.85 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' H ' ' CG2' ' A' ' 86' ' ' THR . . . 77.11 15.4 81.65 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 118.728 -1.04 . . . . 0.0 114.235 176.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.8 t -124.86 119.17 55.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.82 144.56 47.46 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 171.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.1 m -64.82 136.19 96.68 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.21 76.54 3.04 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.73 2.953 . . . . 0.0 110.284 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -138.14 136.39 36.65 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.109 1.364 . . . . 0.0 108.642 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.77 -20.03 65.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.578 0.751 . . . . 0.0 112.426 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.4 -28.94 70.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.94 -0.552 . . . . 0.0 111.704 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.0 t -72.47 129.33 38.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 119.253 0.933 . . . . 0.0 109.17 175.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -129.01 125.77 38.07 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 14.1 tt -141.01 140.27 32.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 124.125 0.97 . . . . 0.0 109.357 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 m -149.26 145.23 26.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.528 1.131 . . . . 0.0 109.138 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 60.9 20.64 57.71 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.058 1.313 . . . . 0.0 115.926 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.59 159.72 14.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.82 1.31 . . . . 0.0 112.282 -176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 m -133.17 149.86 52.03 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -151.62 162.52 40.85 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.477 1.035 . . . . 0.0 110.794 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.9 m -139.14 12.37 2.61 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.043 0.937 . . . . 0.0 112.584 -169.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 50.58 -144.15 0.56 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.611 1.164 . . . . 0.0 110.936 -176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--O 1.248 0.974 0 C-N-CA 127.468 2.307 . . . . 0.0 106.214 169.929 . . . . . . . . 0 0 . 1 stop_ save_